Open with JSmol

N-H...O and C-H...F hydrogen bonds in the incommensurately modulated crystal structure of adamantan-1-ammonium 4-fluorobenzoate

Authors:

Schonleber, Andreas; van Smaalen, Sander; Weiss, Hans-Christoph; Kesel, Andreas J.

Journal:

Acta Crystallographica, Section B 70 652-659 (2014)

DOI:

https://doi.org/10.1107/S2052520614007707

B-IncStrDB ID: 9672EtfncG Entry date: 2014-08-02 Last revision: 2021-12-12

Download CIF
Open in JSmol

I

Chemical data

Structural Formula Sum: C17 H22 F1 N1 O2 [ Help ]

Formula weight: 291.4 Da [ Help ]

Crystallographic data and experimental details

Crystal system: monoclinic [ Help ]

Superspace group name: P21/n(α0γ)00 [ Help ]

Symmetry operations of the superspace group: [ Help ]

Operation code Operation in algebraic form
1 x1,x2,x3,x4
2 -x1+1/2,x2+1/2,-x3+1/2,-x4
3 -x1,-x2,-x3,-x4
4 x1+1/2,-x2+1/2,x3+1/2,x4

a: 10.84980(10) Å [ Help ]

b: 6.52470(10) Å [ Help ]

c: 21.3826(3) Å [ Help ]

α: 90 ° [ Help ]

β: 98.2460(10) ° [ Help ]

γ: 90 ° [ Help ]

Volume: 1498.06(3) Å3 [ Help ]

Modulation dimension: 1 [ Help ]

Measured independent wave vectors: [ Help ]

Wave vector id q_x q_y q_z
1 0.423700 0.000000 0.428400

Z: 4 [ Help ]

Cell measurement temperature: 97.0(1) K [ Help ]

μ: 0.753 mm-1 [ Help ]

Absorption correction type: empirical [ Help ]

Refinement details

Total nb. of reflections: 11225 [ Help ]

Nb. of observed reflections: 6001 [ Help ]

Intense reflections threshold: I>3σ(I) [ Help ]

Refinement based on: F [ Help ]

R(obs): 0.0511 [ Help ]

wR(obs): 0.0618 [ Help ]

R(all): 0.0953 [ Help ]

wR(all): 0.0713 [ Help ]

S(all): 1.76 [ Help ]

S(obs): 2.17 [ Help ]

Nb. of reflections: 11225 [ Help ]

Nb. of parameters: 991 [ Help ]

Number of restraints: 6 [ Help ]

Number of constraints: 307 [ Help ]

Weighting scheme: sigma [ Help ]

Weighting scheme remarks: w=1/(σ2(F)+0.000121F2) [ Help ]

Refinement of hydrogen atoms: mixed [ Help ]

Δ/σ(max): 0.0026 [ Help ]

Δ/σ(mean): 0.0001 [ Help ]

Δρ(max): 0.26 e_Å-3 [ Help ]

Δρ(min): -0.27 e_Å-3 [ Help ]

Extinction method: none [ Help ]

Structural Information

Average Structure: [ Help ]

Atom site label Atom symbol x y z ADP type Uiso/equiv Symmetry multiplicity Occupancy Coords from (d)iffraction or (c)alculated Coords restraints or constraints Disordered cluster Disordered group
C01 C -0.06259(9) 0.38058(15) -0.15316(6) Uani 0.0306(3) 4 1 d ? ? ?
C02 C 0.02518(9) 0.29051(15) -0.09876(5) Uani 0.0310(3) 4 1 d ? ? ?
C03 C 0.09126(11) 0.41989(16) -0.05531(6) Uani 0.0390(4) 4 1 d ? ? ?
C04 C 0.17229(11) 0.34689(17) -0.00443(6) Uani 0.0428(4) 4 1 d ? ? ?
C05 C 0.18623(11) 0.14257(17) 0.00211(6) Uani 0.0420(4) 4 1 d ? ? ?
C06 C 0.12363(16) 0.00717(19) -0.03990(8) Uani 0.0523(5) 4 1 d ? ? ?
C07 C 0.04147(13) 0.08249(17) -0.09034(6) Uani 0.0423(4) 4 1 d ? ? ?
F08 F 0.26562(8) 0.06883(11) 0.05162(4) Uani 0.0608(3) 4 1 d ? ? ?
O09 O -0.12359(7) 0.26017(11) -0.19206(4) Uani 0.0375(3) 4 1 d ? ? ?
O10 O -0.06978(8) 0.57222(12) -0.15579(4) Uani 0.0418(3) 4 1 d ? ? ?
N11 N 0.14166(8) 0.13244(13) 0.24462(4) Uani 0.0317(3) 4 1 d ? ? ?
C12 C 0.05548(9) 0.13331(13) 0.29297(5) Uani 0.0285(3) 4 1 d ? ? ?
C13 C 0.09251(10) -0.03906(13) 0.34078(5) Uani 0.0331(3) 4 1 d ? ? ?
C14 C 0.00475(11) -0.03839(14) 0.39012(6) Uani 0.0372(4) 4 1 d ? ? ?
C15 C 0.01334(10) 0.16851(14) 0.42492(6) Uani 0.0355(3) 4 1 d ? ? ?
C16 C -0.02291(9) 0.34135(13) 0.37675(5) Uani 0.0322(3) 4 1 d ? ? ?
C17 C 0.06498(9) 0.34024(13) 0.32721(5) Uani 0.0307(3) 4 1 d ? ? ?
C18 C -0.07819(9) 0.09895(13) 0.26048(5) Uani 0.0307(3) 4 1 d ? ? ?
C19 C -0.16604(9) 0.10039(14) 0.30998(6) Uani 0.0349(3) 4 1 d ? ? ?
C20 C -0.15685(10) 0.30724(14) 0.34471(6) Uani 0.0351(3) 4 1 d ? ? ?
C21 C -0.12916(11) -0.07209(14) 0.35808(6) Uani 0.0385(4) 4 1 d ? ? ?
H03 H 0.080475 0.563804 -0.060677 Uiso 0.0468 4 1 d ? ? ?
H04 H 0.217471 0.43786 0.025433 Uiso 0.0514 4 1 d ? ? ?
H06 H 0.136534 -0.136056 -0.034428 Uiso 0.0627 4 1 d ? ? ?
H07 H -0.004502 -0.009952 -0.119586 Uiso 0.0507 4 1 d ? ? ?
H11a H 0.2175(10) 0.1501(13) 0.2626(6) Uiso 0.0476 4 1 d ? ? ?
H11b H 0.1354(10) 0.0108(15) 0.2242(5) Uiso 0.0476 4 1 d ? ? ?
H11c H 0.1202(11) 0.2339(14) 0.2166(5) Uiso 0.0476 4 1 d ? ? ?
H13a H 0.08697 -0.168485 0.319235 Uiso 0.0398 4 1 d ? ? ?
H13b H 0.176266 -0.017357 0.361068 Uiso 0.0398 4 1 d ? ? ?
H14 H 0.028077 -0.146646 0.419828 Uiso 0.0446 4 1 d ? ? ?
H15a H -0.042676 0.168648 0.455798 Uiso 0.0425 4 1 d ? ? ?
H15b H 0.097066 0.18964 0.445341 Uiso 0.0425 4 1 d ? ? ?
H16 H -0.016901 0.471243 0.398035 Uiso 0.0387 4 1 d ? ? ?
H17a H 0.148861 0.360879 0.347481 Uiso 0.0368 4 1 d ? ? ?
H17b H 0.042131 0.44794 0.297245 Uiso 0.0368 4 1 d ? ? ?
H18a H -0.101038 0.206473 0.23045 Uiso 0.0369 4 1 d ? ? ?
H18b H -0.083604 -0.030917 0.239188 Uiso 0.0369 4 1 d ? ? ?
H19 H -0.249823 0.079757 0.289558 Uiso 0.0419 4 1 d ? ? ?
H20a H -0.180233 0.415363 0.314982 Uiso 0.0421 4 1 d ? ? ?
H20b H -0.211836 0.307131 0.37607 Uiso 0.0421 4 1 d ? ? ?
H21a H -0.184235 -0.07108 0.389397 Uiso 0.0462 4 1 d ? ? ?
H21b H -0.135038 -0.201758 0.336676 Uiso 0.0462 4 1 d ? ? ?

ADP components: [ Help ]

Atom site label Atom site symbol U11 U22 U33 U12 U13 U23
C01 C 0.0232(5) 0.0433(6) 0.0247(7) 0.0005(3) 0.0019(4) 0.0020(4)
C02 C 0.0230(5) 0.0467(6) 0.0234(7) -0.0027(4) 0.0032(4) 0.0014(4)
C03 C 0.0354(6) 0.0436(6) 0.0348(8) 0.0074(4) -0.0057(5) -0.0057(4)
C04 C 0.0354(6) 0.0522(6) 0.0364(8) 0.0020(4) -0.0101(5) -0.0082(5)
C05 C 0.0367(6) 0.0543(6) 0.0314(8) -0.0051(5) -0.0080(5) 0.0120(5)
C06 C 0.0618(11) 0.0448(6) 0.0443(9) -0.0158(7) -0.0125(8) 0.0165(6)
C07 C 0.0453(8) 0.0439(6) 0.0338(8) -0.0171(6) -0.0077(6) 0.0076(5)
F08 F 0.0613(5) 0.0646(4) 0.0465(5) -0.0057(3) -0.0260(4) 0.0175(3)
O09 O 0.0274(4) 0.0536(4) 0.0284(5) 0.0009(3) -0.0064(3) -0.0047(3)
O10 O 0.0420(4) 0.0496(5) 0.0302(5) 0.0002(3) -0.0074(3) 0.0048(3)
N11 N 0.0233(4) 0.0460(5) 0.0238(5) 0.0006(3) -0.0038(3) 0.0024(4)
C12 C 0.0251(5) 0.0360(5) 0.0229(6) 0.0030(3) -0.0012(4) 0.0020(4)
C13 C 0.0328(5) 0.0378(5) 0.0274(7) 0.0083(4) -0.0009(4) 0.0020(4)
C14 C 0.0441(6) 0.0351(5) 0.0318(7) 0.0075(4) 0.0039(5) 0.0087(4)
C15 C 0.0372(6) 0.0447(5) 0.0241(6) 0.0063(4) 0.0029(4) 0.0021(4)
C16 C 0.0344(5) 0.0337(4) 0.0273(6) 0.0039(3) -0.0002(4) -0.0014(4)
C17 C 0.0275(5) 0.0348(5) 0.0273(6) 0.0003(3) -0.0040(4) 0.0023(4)
C18 C 0.0252(5) 0.0369(5) 0.0280(6) 0.0010(3) -0.0031(4) 0.0003(4)
C19 C 0.0243(5) 0.0434(5) 0.0357(7) -0.0003(3) -0.0002(4) -0.0016(4)
C20 C 0.0303(5) 0.0381(5) 0.0363(7) 0.0064(3) 0.0023(4) 0.0011(4)
C21 C 0.0412(6) 0.0353(5) 0.0408(8) -0.0026(4) 0.0119(5) 0.0013(4)

Fourier Wave Vectors (explicit: q_x,q_y,q_z or coefficients: q_1,q_2,...): [ Help ]

Wave vector code q_1
1 1
2 2

Definition of the displacive (translational) Fourier series: [ Help ]

Modulation code Atom site label Displacement axis Wave vector code
C01x1 C01 x 1
C01y1 C01 y 1
C01z1 C01 z 1
C01x2 C01 x 2
C01y2 C01 y 2
C01z2 C01 z 2
C02x1 C02 x 1
C02y1 C02 y 1
C02z1 C02 z 1
C02x2 C02 x 2
C02y2 C02 y 2
C02z2 C02 z 2
C03x1 C03 x 1
C03y1 C03 y 1
C03z1 C03 z 1
C03x2 C03 x 2
C03y2 C03 y 2
C03z2 C03 z 2
C04x1 C04 x 1
C04y1 C04 y 1
C04z1 C04 z 1
C04x2 C04 x 2
C04y2 C04 y 2
C04z2 C04 z 2
C05x1 C05 x 1
C05y1 C05 y 1
C05z1 C05 z 1
C05x2 C05 x 2
C05y2 C05 y 2
C05z2 C05 z 2
C06x1 C06 x 1
C06y1 C06 y 1
C06z1 C06 z 1
C06x2 C06 x 2
C06y2 C06 y 2
C06z2 C06 z 2
C07x1 C07 x 1
C07y1 C07 y 1
C07z1 C07 z 1
C07x2 C07 x 2
C07y2 C07 y 2
C07z2 C07 z 2
F08x1 F08 x 1
F08y1 F08 y 1
F08z1 F08 z 1
F08x2 F08 x 2
F08y2 F08 y 2
F08z2 F08 z 2
O09x1 O09 x 1
O09y1 O09 y 1
O09z1 O09 z 1
O09x2 O09 x 2
O09y2 O09 y 2
O09z2 O09 z 2
O10x1 O10 x 1
O10y1 O10 y 1
O10z1 O10 z 1
O10x2 O10 x 2
O10y2 O10 y 2
O10z2 O10 z 2
N11x1 N11 x 1
N11y1 N11 y 1
N11z1 N11 z 1
N11x2 N11 x 2
N11y2 N11 y 2
N11z2 N11 z 2
C12x1 C12 x 1
C12y1 C12 y 1
C12z1 C12 z 1
C12x2 C12 x 2
C12y2 C12 y 2
C12z2 C12 z 2
C13x1 C13 x 1
C13y1 C13 y 1
C13z1 C13 z 1
C13x2 C13 x 2
C13y2 C13 y 2
C13z2 C13 z 2
C14x1 C14 x 1
C14y1 C14 y 1
C14z1 C14 z 1
C14x2 C14 x 2
C14y2 C14 y 2
C14z2 C14 z 2
C15x1 C15 x 1
C15y1 C15 y 1
C15z1 C15 z 1
C15x2 C15 x 2
C15y2 C15 y 2
C15z2 C15 z 2
C16x1 C16 x 1
C16y1 C16 y 1
C16z1 C16 z 1
C16x2 C16 x 2
C16y2 C16 y 2
C16z2 C16 z 2
C17x1 C17 x 1
C17y1 C17 y 1
C17z1 C17 z 1
C17x2 C17 x 2
C17y2 C17 y 2
C17z2 C17 z 2
C18x1 C18 x 1
C18y1 C18 y 1
C18z1 C18 z 1
C18x2 C18 x 2
C18y2 C18 y 2
C18z2 C18 z 2
C19x1 C19 x 1
C19y1 C19 y 1
C19z1 C19 z 1
C19x2 C19 x 2
C19y2 C19 y 2
C19z2 C19 z 2
C20x1 C20 x 1
C20y1 C20 y 1
C20z1 C20 z 1
C20x2 C20 x 2
C20y2 C20 y 2
C20z2 C20 z 2
C21x1 C21 x 1
C21y1 C21 y 1
C21z1 C21 z 1
C21x2 C21 x 2
C21y2 C21 y 2
C21z2 C21 z 2
H03x1 H03 x 1
H03y1 H03 y 1
H03z1 H03 z 1
H03x2 H03 x 2
H03y2 H03 y 2
H03z2 H03 z 2
H04x1 H04 x 1
H04y1 H04 y 1
H04z1 H04 z 1
H04x2 H04 x 2
H04y2 H04 y 2
H04z2 H04 z 2
H06x1 H06 x 1
H06y1 H06 y 1
H06z1 H06 z 1
H06x2 H06 x 2
H06y2 H06 y 2
H06z2 H06 z 2
H07x1 H07 x 1
H07y1 H07 y 1
H07z1 H07 z 1
H07x2 H07 x 2
H07y2 H07 y 2
H07z2 H07 z 2
H11ax1 H11a x 1
H11ay1 H11a y 1
H11az1 H11a z 1
H11ax2 H11a x 2
H11ay2 H11a y 2
H11az2 H11a z 2
H11bx1 H11b x 1
H11by1 H11b y 1
H11bz1 H11b z 1
H11bx2 H11b x 2
H11by2 H11b y 2
H11bz2 H11b z 2
H11cx1 H11c x 1
H11cy1 H11c y 1
H11cz1 H11c z 1
H11cx2 H11c x 2
H11cy2 H11c y 2
H11cz2 H11c z 2
H13ax1 H13a x 1
H13ay1 H13a y 1
H13az1 H13a z 1
H13ax2 H13a x 2
H13ay2 H13a y 2
H13az2 H13a z 2
H13bx1 H13b x 1
H13by1 H13b y 1
H13bz1 H13b z 1
H13bx2 H13b x 2
H13by2 H13b y 2
H13bz2 H13b z 2
H14x1 H14 x 1
H14y1 H14 y 1
H14z1 H14 z 1
H14x2 H14 x 2
H14y2 H14 y 2
H14z2 H14 z 2
H15ax1 H15a x 1
H15ay1 H15a y 1
H15az1 H15a z 1
H15ax2 H15a x 2
H15ay2 H15a y 2
H15az2 H15a z 2
H15bx1 H15b x 1
H15by1 H15b y 1
H15bz1 H15b z 1
H15bx2 H15b x 2
H15by2 H15b y 2
H15bz2 H15b z 2
H16x1 H16 x 1
H16y1 H16 y 1
H16z1 H16 z 1
H16x2 H16 x 2
H16y2 H16 y 2
H16z2 H16 z 2
H17ax1 H17a x 1
H17ay1 H17a y 1
H17az1 H17a z 1
H17ax2 H17a x 2
H17ay2 H17a y 2
H17az2 H17a z 2
H17bx1 H17b x 1
H17by1 H17b y 1
H17bz1 H17b z 1
H17bx2 H17b x 2
H17by2 H17b y 2
H17bz2 H17b z 2
H18ax1 H18a x 1
H18ay1 H18a y 1
H18az1 H18a z 1
H18ax2 H18a x 2
H18ay2 H18a y 2
H18az2 H18a z 2
H18bx1 H18b x 1
H18by1 H18b y 1
H18bz1 H18b z 1
H18bx2 H18b x 2
H18by2 H18b y 2
H18bz2 H18b z 2
H19x1 H19 x 1
H19y1 H19 y 1
H19z1 H19 z 1
H19x2 H19 x 2
H19y2 H19 y 2
H19z2 H19 z 2
H20ax1 H20a x 1
H20ay1 H20a y 1
H20az1 H20a z 1
H20ax2 H20a x 2
H20ay2 H20a y 2
H20az2 H20a z 2
H20bx1 H20b x 1
H20by1 H20b y 1
H20bz1 H20b z 1
H20bx2 H20b x 2
H20by2 H20b y 2
H20bz2 H20b z 2
H21ax1 H21a x 1
H21ay1 H21a y 1
H21az1 H21a z 1
H21ax2 H21a x 2
H21ay2 H21a y 2
H21az2 H21a z 2
H21bx1 H21b x 1
H21by1 H21b y 1
H21bz1 H21b z 1
H21bx2 H21b x 2
H21by2 H21b y 2
H21bz2 H21b z 2

Displacive (translational) Fourier coefficients: [ Help ]

Modulation code Cosine coefficient Sine coefficient
C01x1 -0.00102(14) -0.00335(14)
C01y1 0.0353(2) 0.0286(2)
C01z1 0.00111(8) -0.00031(8)
C01x2 0.0005(2) 0.0002(2)
C01y2 -0.0001(3) 0.0097(3)
C01z2 -0.00050(11) -0.00009(11)
C02x1 0.00045(14) -0.00532(13)
C02y1 0.0206(2) 0.03567(19)
C02z1 0.00092(8) 0.00043(8)
C02x2 0.0000(2) -0.00143(19)
C02y2 -0.0045(3) 0.0048(3)
C02z2 -0.00054(11) -0.00042(11)
C03x1 0.00231(17) 0.00957(14)
C03y1 0.0092(2) 0.03819(19)
C03z1 0.00071(10) -0.00418(8)
C03x2 -0.0026(2) 0.0015(2)
C03y2 -0.0051(3) 0.0018(3)
C03z2 0.00080(12) -0.00053(12)
C04x1 0.00080(17) 0.00614(16)
C04y1 -0.0040(2) 0.0369(2)
C04z1 0.00144(9) -0.00274(8)
C04x2 -0.0023(2) -0.0006(2)
C04y2 -0.0029(3) -0.0007(3)
C04z2 0.00122(12) -0.00031(12)
C05x1 0.00842(18) -0.01138(16)
C05y1 -0.0059(3) 0.0364(2)
C05z1 -0.00116(9) 0.00298(9)
C05x2 0.0007(2) -0.0010(2)
C05y2 -0.0026(3) -0.0005(3)
C05z2 0.00026(13) 0.00086(12)
C06x1 0.0059(2) -0.02798(17)
C06y1 0.0055(3) 0.0383(2)
C06z1 -0.00042(11) 0.00799(9)
C06x2 0.0047(3) -0.0041(3)
C06y2 -0.0069(3) 0.0013(3)
C06z2 -0.00105(14) 0.00070(14)
C07x1 -0.0039(2) -0.02240(16)
C07y1 0.0195(3) 0.0376(2)
C07z1 0.00228(9) 0.00603(8)
C07x2 0.0016(2) -0.0049(2)
C07y2 -0.0054(3) 0.0056(3)
C07z2 -0.00044(12) 0.00076(12)
F08x1 0.01589(12) -0.01124(12)
F08y1 -0.01589(15) 0.03007(15)
F08z1 -0.00343(6) 0.00356(6)
F08x2 0.00172(17) 0.00051(17)
F08y2 -0.00163(19) -0.00103(19)
F08z2 -0.00041(8) 0.00031(8)
O09x1 -0.00204(10) -0.00198(10)
O09y1 0.04161(14) 0.01936(16)
O09z1 0.00082(6) -0.00108(6)
O09x2 -0.00072(15) -0.00042(15)
O09y2 0.0042(2) 0.0067(2)
O09z2 -0.00069(8) -0.00035(8)
O10x1 0.00012(11) -0.00234(12)
O10y1 0.03513(15) 0.02750(16)
O10z1 0.00121(6) 0.00020(6)
O10x2 0.00018(16) 0.00081(17)
O10y2 0.0005(2) 0.0080(2)
O10z2 -0.00060(8) 0.00006(8)
N11x1 -0.00136(11) -0.00082(12)
N11y1 -0.04428(17) 0.0109(2)
N11z1 -0.00119(6) -0.00065(7)
N11x2 0.00088(16) 0.00008(17)
N11y2 -0.0048(2) 0.0041(3)
N11z2 0.00023(9) 0.00014(9)
C12x1 -0.00266(13) 0.00076(13)
C12y1 -0.03732(17) 0.00767(20)
C12z1 -0.00186(7) 0.00046(8)
C12x2 0.00045(15) 0.00001(14)
C12y2 -0.0024(2) 0.0038(2)
C12z2 0.00045(9) 0.00030(9)
C13x1 -0.00844(14) 0.00337(15)
C13y1 -0.03795(17) -0.0029(2)
C13z1 -0.00129(7) -0.00116(8)
C13x2 0.00002(15) 0.00033(15)
C13y2 -0.0024(2) 0.0023(2)
C13z2 0.00048(8) 0.00037(9)
C14x1 -0.01028(15) 0.00552(16)
C14y1 -0.03040(18) -0.0063(2)
C14z1 -0.00219(8) -0.00033(8)
C14x2 -0.00041(17) 0.00050(17)
C14y2 -0.0003(2) 0.0016(2)
C14z2 0.00031(9) 0.00020(9)
C15x1 -0.00838(14) 0.00336(16)
C15y1 -0.02819(19) -0.0120(2)
C15z1 -0.00312(8) 0.00072(8)
C15x2 0.00024(17) 0.00009(16)
C15y2 0.0006(2) 0.0017(2)
C15z2 0.00046(10) 0.00044(9)
C16x1 -0.00254(14) 0.00095(14)
C16y1 -0.03055(18) -0.0028(2)
C16z1 -0.00380(7) 0.00258(8)
C16x2 0.00024(16) -0.00037(16)
C16y2 0.0001(2) 0.0017(2)
C16z2 0.00001(9) 0.00024(8)
C17x1 -0.00066(13) -0.00083(13)
C17y1 -0.03771(17) 0.0012(2)
C17z1 -0.00282(7) 0.00128(7)
C17x2 0.00022(14) -0.00037(14)
C17y2 -0.0017(2) 0.0026(2)
C17z2 0.00004(8) 0.00014(8)
C18x1 -0.00198(13) 0.00164(13)
C18y1 -0.02772(19) 0.01771(19)
C18z1 -0.00246(8) 0.00261(8)
C18x2 0.00020(16) 0.00010(16)
C18y2 0.0013(2) 0.0031(2)
C18z2 0.00022(9) -0.00004(9)
C19x1 -0.00254(13) 0.00454(14)
C19y1 -0.02400(19) 0.01076(19)
C19z1 -0.00227(8) 0.00413(8)
C19x2 0.00010(16) 0.00007(16)
C19y2 0.0009(2) 0.0015(2)
C19z2 0.00011(9) 0.00023(9)
C20x1 -0.00165(14) 0.00164(14)
C20y1 -0.02610(19) 0.00448(19)
C20z1 -0.00301(8) 0.00543(8)
C20x2 0.00033(17) -0.00109(17)
C20y2 0.0012(2) 0.0003(2)
C20z2 0.00044(10) -0.00021(10)
C21x1 -0.00658(16) 0.00933(16)
C21y1 -0.02681(19) 0.0020(2)
C21z1 -0.00283(8) 0.00199(9)
C21x2 0.0000(2) 0.0007(2)
C21y2 0.0000(2) 0.0013(2)
C21z2 0.00034(9) 0.00007(9)
H03x1 0.003 0.0225
H03y1 0.0106 0.0381
H03z1 0.0005 -0.0085
H03x2 -0.0053 0.0032
H03y2 -0.0039 0.0024
H03z2 0.0014 -0.0008
H04x1 -0.0058 0.0152
H04y1 -0.0115 0.0343
H04z1 0.0038 -0.0054
H04x2 -0.0041 -0.0014
H04y2 -0.0014 0.0006
H04z2 0.0019 -0.0002
H06x1 0.0095 -0.0414
H06y1 0.0044 0.0377
H06z1 -0.0016 0.0123
H06x2 0.0091 -0.0056
H06y2 -0.0079 -0.0001
H06z2 -0.0021 0.0012
H07x1 -0.0129 -0.0285
H07y1 0.0276 0.0345
H07z1 0.0049 0.0078
H07x2 0.0001 -0.0071
H07y2 -0.0038 0.0083
H07z2 -0.0001 0.0015
H11ax1 -0.0014(14) -0.0024(14)
H11ay1 -0.0460(19) 0.002(2)
H11az1 0.0005(8) -0.0006(8)
H11ax2 0.0010(16) 0.0003(16)
H11ay2 -0.007(2) 0.004(3)
H11az2 0.0009(11) 0.0000(10)
H11bx1 0.0006(14) 0.0013(15)
H11by1 -0.043(2) 0.016(2)
H11bz1 -0.0025(7) -0.0004(7)
H11bx2 0.003(2) 0.000(2)
H11by2 -0.002(2) 0.004(2)
H11bz2 -0.0024(9) 0.0022(9)
H11cx1 0.0000(15) -0.0020(15)
H11cy1 -0.042(2) 0.015(2)
H11cz1 -0.0003(7) -0.0001(7)
H11cx2 -0.002(2) -0.001(2)
H11cy2 0.002(2) 0.000(2)
H11cz2 0.0017(9) -0.0015(9)
H13ax1 -0.0104 0.005
H13ay1 -0.0386 0.0012
H13az1 -0.0011 -0.0018
H13ax2 0.0001 0.0006
H13ay2 -0.0024 0.0027
H13az2 0.0008 0.0002
H13bx1 -0.0091 0.001
H13by1 -0.0405 -0.0127
H13bz1 -0.0002 -0.0016
H13bx2 -0.0003 0.0002
H13by2 -0.0029 0.001
H13bz2 0.0003 0.0006
H14x1 -0.0142 0.0055
H14y1 -0.0283 -0.0119
H14z1 -0.0014 -0.0013
H14x2 -0.0012 0.0005
H14y2 -0.0004 0.0013
H14z2 0.0004 0.0003
H15ax1 -0.0099 0.0049
H15ay1 -0.0239 -0.0143
H15az1 -0.0039 0.0014
H15ax2 0 -0.0001
H15ay2 0.0017 0.0011
H15az2 0.0004 0.0003
H15bx1 -0.0093 0.0011
H15by1 -0.0276 -0.0192
H15bz1 -0.0022 -0.0004
H15bx2 0.0003 0.0003
H15by2 -0.0007 0.0019
H15bz2 0 0.0004
H16x1 -0.001 -0.0003
H16y1 -0.0295 -0.0062
H16z1 -0.0044 0.003
H16x2 0.0005 -0.0005
H16y2 0.0004 0.0015
H16z2 -0.0004 0.0003
H17ax1 -0.0007 -0.0009
H17ay1 -0.0399 -0.0085
H17az1 -0.0022 0.0002
H17ax2 0.0003 -0.0002
H17ay2 -0.0026 0.0021
H17az2 0 0.0001
H17bx1 0.0021 -0.0035
H17by1 -0.0374 0.0077
H17bz1 -0.0031 0.0024
H17bx2 0 -0.001
H17by2 -0.0017 0.0029
H17bz2 -0.0002 0.0001
H18ax1 -0.0007 -0.0018
H18ay1 -0.0242 0.0225
H18az1 -0.0019 0.0038
H18ax2 0.0001 -0.0005
H18ay2 0.0024 0.0026
H18az2 0.0003 0
H18bx1 -0.0023 0.0034
H18by1 -0.0266 0.0211
H18bz1 -0.0021 0.0019
H18bx2 0.0005 0.0006
H18by2 0.0018 0.0029
H18bz2 0.0001 -0.0001
H19x1 -0.0013 0.0048
H19y1 -0.019 0.0138
H19z1 -0.001 0.0054
H19x2 0.0002 -0.0001
H19y2 0.0007 0.0003
H19z2 0.0002 0.0004
H20ax1 -0.0005 -0.0023
H20ay1 -0.0247 0.0096
H20az1 -0.0022 0.0069
H20ax2 -0.0003 -0.001
H20ay2 0.0015 -0.0005
H20az2 0.0004 -0.0005
H20bx1 -0.0022 0.0036
H20by1 -0.0242 -0.0008
H20bz1 -0.003 0.0065
H20bx2 0.0003 -0.0013
H20by2 0.0009 -0.0003
H20bz2 0.0005 -0.0003
H21ax1 -0.0067 0.0114
H21ay1 -0.0248 -0.0028
H21az1 -0.0031 0.003
H21ax2 0 0.0009
H21ay2 0.0006 0.0005
H21az2 0.0004 0.0001
H21bx1 -0.0065 0.0116
H21by1 -0.0265 0.0058
H21bz1 -0.0027 0.0012
H21bx2 0.0004 0.0007
H21by2 0 0.0015
H21bz2 0.0004 -0.0001

Definition of the ADP Fourier series: [ Help ]

Modulation code Atom site label Tensor element Wave vector code
C01U111 C01 U11 1
C01U221 C01 U22 1
C01U331 C01 U33 1
C01U121 C01 U12 1
C01U131 C01 U13 1
C01U231 C01 U23 1
C01U112 C01 U11 2
C01U222 C01 U22 2
C01U332 C01 U33 2
C01U122 C01 U12 2
C01U132 C01 U13 2
C01U232 C01 U23 2
C02U111 C02 U11 1
C02U221 C02 U22 1
C02U331 C02 U33 1
C02U121 C02 U12 1
C02U131 C02 U13 1
C02U231 C02 U23 1
C02U112 C02 U11 2
C02U222 C02 U22 2
C02U332 C02 U33 2
C02U122 C02 U12 2
C02U132 C02 U13 2
C02U232 C02 U23 2
C03U111 C03 U11 1
C03U221 C03 U22 1
C03U331 C03 U33 1
C03U121 C03 U12 1
C03U131 C03 U13 1
C03U231 C03 U23 1
C03U112 C03 U11 2
C03U222 C03 U22 2
C03U332 C03 U33 2
C03U122 C03 U12 2
C03U132 C03 U13 2
C03U232 C03 U23 2
C04U111 C04 U11 1
C04U221 C04 U22 1
C04U331 C04 U33 1
C04U121 C04 U12 1
C04U131 C04 U13 1
C04U231 C04 U23 1
C04U112 C04 U11 2
C04U222 C04 U22 2
C04U332 C04 U33 2
C04U122 C04 U12 2
C04U132 C04 U13 2
C04U232 C04 U23 2
C05U111 C05 U11 1
C05U221 C05 U22 1
C05U331 C05 U33 1
C05U121 C05 U12 1
C05U131 C05 U13 1
C05U231 C05 U23 1
C05U112 C05 U11 2
C05U222 C05 U22 2
C05U332 C05 U33 2
C05U122 C05 U12 2
C05U132 C05 U13 2
C05U232 C05 U23 2
C06U111 C06 U11 1
C06U221 C06 U22 1
C06U331 C06 U33 1
C06U121 C06 U12 1
C06U131 C06 U13 1
C06U231 C06 U23 1
C06U112 C06 U11 2
C06U222 C06 U22 2
C06U332 C06 U33 2
C06U122 C06 U12 2
C06U132 C06 U13 2
C06U232 C06 U23 2
C07U111 C07 U11 1
C07U221 C07 U22 1
C07U331 C07 U33 1
C07U121 C07 U12 1
C07U131 C07 U13 1
C07U231 C07 U23 1
C07U112 C07 U11 2
C07U222 C07 U22 2
C07U332 C07 U33 2
C07U122 C07 U12 2
C07U132 C07 U13 2
C07U232 C07 U23 2
F08U111 F08 U11 1
F08U221 F08 U22 1
F08U331 F08 U33 1
F08U121 F08 U12 1
F08U131 F08 U13 1
F08U231 F08 U23 1
F08U112 F08 U11 2
F08U222 F08 U22 2
F08U332 F08 U33 2
F08U122 F08 U12 2
F08U132 F08 U13 2
F08U232 F08 U23 2
O09U111 O09 U11 1
O09U221 O09 U22 1
O09U331 O09 U33 1
O09U121 O09 U12 1
O09U131 O09 U13 1
O09U231 O09 U23 1
O09U112 O09 U11 2
O09U222 O09 U22 2
O09U332 O09 U33 2
O09U122 O09 U12 2
O09U132 O09 U13 2
O09U232 O09 U23 2
O10U111 O10 U11 1
O10U221 O10 U22 1
O10U331 O10 U33 1
O10U121 O10 U12 1
O10U131 O10 U13 1
O10U231 O10 U23 1
O10U112 O10 U11 2
O10U222 O10 U22 2
O10U332 O10 U33 2
O10U122 O10 U12 2
O10U132 O10 U13 2
O10U232 O10 U23 2
N11U111 N11 U11 1
N11U221 N11 U22 1
N11U331 N11 U33 1
N11U121 N11 U12 1
N11U131 N11 U13 1
N11U231 N11 U23 1
N11U112 N11 U11 2
N11U222 N11 U22 2
N11U332 N11 U33 2
N11U122 N11 U12 2
N11U132 N11 U13 2
N11U232 N11 U23 2
C12U111 C12 U11 1
C12U221 C12 U22 1
C12U331 C12 U33 1
C12U121 C12 U12 1
C12U131 C12 U13 1
C12U231 C12 U23 1
C12U112 C12 U11 2
C12U222 C12 U22 2
C12U332 C12 U33 2
C12U122 C12 U12 2
C12U132 C12 U13 2
C12U232 C12 U23 2
C13U111 C13 U11 1
C13U221 C13 U22 1
C13U331 C13 U33 1
C13U121 C13 U12 1
C13U131 C13 U13 1
C13U231 C13 U23 1
C13U112 C13 U11 2
C13U222 C13 U22 2
C13U332 C13 U33 2
C13U122 C13 U12 2
C13U132 C13 U13 2
C13U232 C13 U23 2
C14U111 C14 U11 1
C14U221 C14 U22 1
C14U331 C14 U33 1
C14U121 C14 U12 1
C14U131 C14 U13 1
C14U231 C14 U23 1
C14U112 C14 U11 2
C14U222 C14 U22 2
C14U332 C14 U33 2
C14U122 C14 U12 2
C14U132 C14 U13 2
C14U232 C14 U23 2
C15U111 C15 U11 1
C15U221 C15 U22 1
C15U331 C15 U33 1
C15U121 C15 U12 1
C15U131 C15 U13 1
C15U231 C15 U23 1
C15U112 C15 U11 2
C15U222 C15 U22 2
C15U332 C15 U33 2
C15U122 C15 U12 2
C15U132 C15 U13 2
C15U232 C15 U23 2
C16U111 C16 U11 1
C16U221 C16 U22 1
C16U331 C16 U33 1
C16U121 C16 U12 1
C16U131 C16 U13 1
C16U231 C16 U23 1
C16U112 C16 U11 2
C16U222 C16 U22 2
C16U332 C16 U33 2
C16U122 C16 U12 2
C16U132 C16 U13 2
C16U232 C16 U23 2
C17U111 C17 U11 1
C17U221 C17 U22 1
C17U331 C17 U33 1
C17U121 C17 U12 1
C17U131 C17 U13 1
C17U231 C17 U23 1
C17U112 C17 U11 2
C17U222 C17 U22 2
C17U332 C17 U33 2
C17U122 C17 U12 2
C17U132 C17 U13 2
C17U232 C17 U23 2
C18U111 C18 U11 1
C18U221 C18 U22 1
C18U331 C18 U33 1
C18U121 C18 U12 1
C18U131 C18 U13 1
C18U231 C18 U23 1
C18U112 C18 U11 2
C18U222 C18 U22 2
C18U332 C18 U33 2
C18U122 C18 U12 2
C18U132 C18 U13 2
C18U232 C18 U23 2
C19U111 C19 U11 1
C19U221 C19 U22 1
C19U331 C19 U33 1
C19U121 C19 U12 1
C19U131 C19 U13 1
C19U231 C19 U23 1
C19U112 C19 U11 2
C19U222 C19 U22 2
C19U332 C19 U33 2
C19U122 C19 U12 2
C19U132 C19 U13 2
C19U232 C19 U23 2
C20U111 C20 U11 1
C20U221 C20 U22 1
C20U331 C20 U33 1
C20U121 C20 U12 1
C20U131 C20 U13 1
C20U231 C20 U23 1
C20U112 C20 U11 2
C20U222 C20 U22 2
C20U332 C20 U33 2
C20U122 C20 U12 2
C20U132 C20 U13 2
C20U232 C20 U23 2
C21U111 C21 U11 1
C21U221 C21 U22 1
C21U331 C21 U33 1
C21U121 C21 U12 1
C21U131 C21 U13 1
C21U231 C21 U23 1
C21U112 C21 U11 2
C21U222 C21 U22 2
C21U332 C21 U33 2
C21U122 C21 U12 2
C21U132 C21 U13 2
C21U232 C21 U23 2

ADP Fourier coefficients: [ Help ]

Modulation code Cosine coefficient Sine coefficient
C01U111 -0.0007(7) 0.0007(7)
C01U221 0.0044(8) 0.0001(8)
C01U331 -0.0006(9) -0.0006(10)
C01U121 -0.0012(5) 0.0002(5)
C01U131 -0.0005(6) 0.0006(6)
C01U231 -0.0008(6) 0.0000(6)
C01U112 -0.0028(10) 0.0025(10)
C01U222 -0.0002(10) -0.0174(10)
C01U332 0.0035(13) -0.0030(13)
C01U122 -0.0004(7) -0.0014(7)
C01U132 -0.0013(9) -0.0033(8)
C01U232 -0.0018(7) -0.0033(8)
C02U111 -0.0009(7) 0.0014(7)
C02U221 0.0021(8) -0.0002(6)
C02U331 0.0001(10) 0.0004(9)
C02U121 0.0010(6) 0.0018(5)
C02U131 0.0006(6) 0.0019(6)
C02U231 0.0007(6) -0.0020(5)
C02U112 0.0006(10) 0.0017(10)
C02U222 0.0202(10) -0.0204(10)
C02U332 -0.0052(12) 0.0025(13)
C02U122 -0.0030(7) 0.0040(7)
C02U132 0.0010(8) -0.0018(9)
C02U232 -0.0011(7) 0.0001(7)
C03U111 -0.0021(9) 0.0020(7)
C03U221 -0.0001(8) 0.0002(6)
C03U331 -0.0009(12) 0.0003(10)
C03U121 -0.0006(7) 0.0011(5)
C03U131 0.0011(8) -0.0013(6)
C03U231 -0.0003(7) -0.0019(5)
C03U112 0.0077(12) -0.0011(12)
C03U222 0.0203(10) -0.0025(9)
C03U332 0.0060(14) 0.0018(14)
C03U122 0.0097(8) -0.0018(7)
C03U132 -0.0073(10) -0.0022(10)
C03U232 -0.0102(8) -0.0022(8)
C04U111 -0.0003(9) -0.0003(8)
C04U221 -0.0007(9) -0.0001(8)
C04U331 -0.0009(12) 0.0019(10)
C04U121 -0.0003(7) 0.0026(6)
C04U131 0.0016(8) 0.0000(7)
C04U231 0.0009(7) -0.0022(6)
C04U112 0.0001(12) -0.0014(13)
C04U222 0.0117(11) 0.0133(11)
C04U332 0.0097(15) 0.0025(15)
C04U122 0.0053(8) 0.0021(8)
C04U132 -0.0050(10) -0.0042(10)
C04U232 -0.0074(9) -0.0064(9)
C05U111 -0.0010(10) 0.0024(8)
C05U221 0.0021(9) 0.0044(8)
C05U331 0.0008(11) -0.0027(10)
C05U121 0.0002(7) 0.0034(6)
C05U131 0.0005(8) 0.0016(7)
C05U231 0.0008(7) -0.0029(6)
C05U112 0.0064(13) 0.0075(13)
C05U222 0.0148(11) 0.0120(11)
C05U332 -0.0018(14) 0.0014(14)
C05U122 -0.0085(9) -0.0094(9)
C05U132 -0.0032(10) -0.0093(10)
C05U232 0.0060(9) 0.0034(9)
C06U111 -0.0074(17) 0.0071(9)
C06U221 -0.0043(9) -0.0001(6)
C06U331 0.0001(14) -0.0042(11)
C06U121 0.0071(9) 0.0008(5)
C06U131 0.0041(11) 0.0016(7)
C06U231 -0.0022(8) -0.0022(6)
C06U112 0.0362(18) 0.0125(17)
C06U222 0.0202(10) 0.0042(10)
C06U332 0.0101(16) 0.0070(17)
C06U122 -0.0261(10) -0.0078(9)
C06U132 -0.0225(13) -0.0139(13)
C06U232 0.0155(9) 0.0046(9)
C07U111 -0.0026(13) 0.0046(8)
C07U221 -0.0015(9) 0.0029(7)
C07U331 0.0024(12) -0.0005(10)
C07U121 0.0022(8) -0.0023(5)
C07U131 0.0017(9) 0.0004(6)
C07U231 0.0001(7) -0.0005(6)
C07U112 0.0220(15) -0.0073(13)
C07U222 0.0146(10) -0.0125(10)
C07U332 0.0066(15) 0.0036(14)
C07U122 -0.0187(9) 0.0115(9)
C07U132 -0.0121(11) 0.0039(10)
C07U232 0.0109(8) -0.0066(8)
F08U111 -0.0001(8) 0.0042(8)
F08U221 -0.0006(5) 0.0021(5)
F08U331 0.0030(7) -0.0027(8)
F08U121 0.0005(5) 0.0033(5)
F08U131 -0.0032(6) 0.0019(6)
F08U231 0.0004(4) -0.0014(4)
F08U112 -0.0015(10) 0.0180(10)
F08U222 0.0004(7) 0.0176(7)
F08U332 -0.0023(10) -0.0001(10)
F08U122 -0.0003(6) -0.0162(6)
F08U132 0.0032(8) -0.0124(8)
F08U232 -0.0010(6) 0.0089(6)
O09U111 -0.0016(5) -0.0005(6)
O09U221 0.0022(5) 0.0014(6)
O09U331 0.0008(7) -0.0005(7)
O09U121 -0.0008(4) -0.0004(4)
O09U131 -0.0010(4) 0.0007(5)
O09U231 0.0006(4) -0.0006(5)
O09U112 0.0030(8) 0.0018(8)
O09U222 -0.0168(7) -0.0268(7)
O09U332 0.0005(9) 0.0002(9)
O09U122 0.0004(5) 0.0023(5)
O09U132 0.0027(6) -0.0002(6)
O09U232 -0.0008(6) 0.0026(6)
O10U111 0.0022(6) 0.0002(6)
O10U221 -0.0011(6) 0.0003(6)
O10U331 0.0025(7) -0.0002(7)
O10U121 0.0005(4) -0.0008(4)
O10U131 -0.0010(5) 0.0008(5)
O10U231 -0.0006(4) -0.0007(4)
O10U112 0.0007(10) 0.0053(9)
O10U222 -0.0033(8) -0.0342(8)
O10U332 0.0008(10) 0.0002(10)
O10U122 -0.0001(6) 0.0016(6)
O10U132 -0.0025(7) 0.0012(7)
O10U232 -0.0020(6) -0.0006(6)
N11U111 0.0004(6) -0.0006(6)
N11U221 0.0025(5) -0.0005(7)
N11U331 0.0008(7) 0.0005(8)
N11U121 0.0010(4) -0.0002(5)
N11U131 0.0005(5) -0.0001(5)
N11U231 -0.0006(5) 0.0000(5)
N11U112 0.0052(8) -0.0008(9)
N11U222 -0.0235(8) 0.0156(8)
N11U332 0.0023(10) 0.0015(10)
N11U122 -0.0001(6) -0.0011(6)
N11U132 0.0002(7) -0.0002(7)
N11U232 -0.0022(7) 0.0008(7)
C12U111 -0.0007(7) -0.0006(7)
C12U221 0.0015(6) -0.0004(7)
C12U331 0.0003(8) 0.0009(9)
C12U121 0.0010(4) -0.0007(5)
C12U131 0.0006(6) 0.0005(6)
C12U231 0.0004(5) 0.0005(5)
C12U112 0.0019(10) 0.0006(10)
C12U222 -0.0116(8) 0.0143(8)
C12U332 -0.0029(12) -0.0020(11)
C12U122 -0.0032(6) 0.0026(6)
C12U132 -0.0010(8) -0.0010(8)
C12U232 -0.0038(7) 0.0014(7)
C13U111 0.0028(7) -0.0003(8)
C13U221 0.0008(6) -0.0006(7)
C13U331 -0.0003(9) 0.0007(10)
C13U121 0.0000(4) 0.0005(6)
C13U131 0.0004(6) 0.0000(7)
C13U231 -0.0012(5) 0.0005(6)
C13U112 -0.0024(11) 0.0048(11)
C13U222 -0.0192(8) 0.0026(8)
C13U332 0.0006(12) 0.0026(12)
C13U122 -0.0067(7) 0.0013(7)
C13U132 0.0001(9) 0.0013(9)
C13U232 -0.0011(7) -0.0005(7)
C14U111 0.0036(9) -0.0024(9)
C14U221 -0.0015(6) -0.0009(7)
C14U331 -0.0004(10) 0.0009(11)
C14U121 -0.0014(5) 0.0021(6)
C14U131 -0.0007(7) 0.0003(7)
C14U231 -0.0013(5) 0.0015(6)
C14U112 0.0007(12) 0.0077(12)
C14U222 -0.0136(8) 0.0034(8)
C14U332 -0.0020(13) -0.0034(13)
C14U122 -0.0070(7) 0.0036(7)
C14U132 -0.0022(10) -0.0033(10)
C14U232 -0.0054(7) -0.0003(7)
C15U111 -0.0013(8) 0.0004(9)
C15U221 -0.0029(6) -0.0027(8)
C15U331 0.0027(9) -0.0001(10)
C15U121 -0.0012(5) 0.0012(6)
C15U131 0.0003(6) -0.0001(7)
C15U231 -0.0007(5) 0.0021(6)
C15U112 -0.0015(12) 0.0035(12)
C15U222 -0.0130(9) -0.0010(9)
C15U332 -0.0024(12) 0.0029(12)
C15U122 -0.0043(7) 0.0008(7)
C15U132 -0.0016(9) 0.0003(9)
C15U232 -0.0044(7) 0.0002(7)
C16U111 -0.0023(8) 0.0010(8)
C16U221 -0.0003(6) -0.0010(6)
C16U331 0.0018(9) -0.0007(9)
C16U121 -0.0017(5) 0.0001(5)
C16U131 0.0002(6) -0.0008(6)
C16U231 -0.0005(5) 0.0014(5)
C16U112 0.0029(11) -0.0009(11)
C16U222 -0.0098(8) 0.0082(8)
C16U332 -0.0011(12) -0.0016(12)
C16U122 -0.0018(6) 0.0026(6)
C16U132 -0.0009(8) 0.0010(9)
C16U232 -0.0032(7) 0.0031(6)
C17U111 -0.0035(7) -0.0003(7)
C17U221 0.0031(5) -0.0007(7)
C17U331 0.0012(9) -0.0019(9)
C17U121 -0.0011(4) 0.0001(5)
C17U131 0.0010(6) 0.0010(6)
C17U231 0.0011(5) -0.0004(5)
C17U112 0.0053(10) -0.0008(10)
C17U222 -0.0148(8) 0.0073(8)
C17U332 0.0007(12) 0.0019(12)
C17U122 0.0001(6) 0.0003(6)
C17U132 0.0022(8) 0.0013(8)
C17U232 -0.0035(7) 0.0032(7)
C18U111 -0.0003(7) 0.0004(7)
C18U221 0.0012(6) -0.0016(6)
C18U331 -0.0001(9) -0.0022(9)
C18U121 -0.0001(5) 0.0007(5)
C18U131 0.0003(6) 0.0004(6)
C18U231 -0.0006(5) 0.0011(5)
C18U112 -0.0001(10) -0.0033(10)
C18U222 -0.0011(8) 0.0148(8)
C18U332 0.0022(12) 0.0016(12)
C18U122 -0.0002(6) 0.0023(6)
C18U132 0.0017(8) 0.0000(8)
C18U232 -0.0011(6) 0.0039(7)
C19U111 -0.0005(7) 0.0013(7)
C19U221 -0.0013(7) -0.0047(7)
C19U331 0.0002(10) -0.0002(10)
C19U121 -0.0003(5) 0.0018(5)
C19U131 -0.0004(6) 0.0004(6)
C19U231 -0.0001(6) 0.0017(6)
C19U112 -0.0024(10) -0.0009(10)
C19U222 0.0015(8) 0.0094(8)
C19U332 -0.0003(14) 0.0026(13)
C19U122 0.0009(6) 0.0018(6)
C19U132 -0.0007(9) -0.0005(9)
C19U232 -0.0002(7) 0.0063(7)
C20U111 -0.0020(8) 0.0014(8)
C20U221 -0.0016(7) -0.0032(7)
C20U331 0.0024(10) -0.0019(10)
C20U121 -0.0006(5) 0.0008(5)
C20U131 0.0010(7) -0.0003(7)
C20U231 0.0022(6) 0.0019(6)
C20U112 0.0000(11) 0.0003(11)
C20U222 0.0011(8) 0.0102(8)
C20U332 -0.0008(14) 0.0023(13)
C20U122 -0.0009(6) 0.0011(6)
C20U132 0.0030(9) 0.0004(9)
C20U232 0.0006(7) 0.0057(7)
C21U111 -0.0001(9) -0.0008(9)
C21U221 -0.0021(6) -0.0025(7)
C21U331 0.0021(11) 0.0004(11)
C21U121 -0.0017(5) 0.0032(5)
C21U131 -0.0019(7) 0.0001(8)
C21U231 -0.0009(6) 0.0038(6)
C21U112 0.0029(13) 0.0016(12)
C21U222 -0.0021(8) 0.0079(8)
C21U332 -0.0048(14) 0.0034(15)
C21U122 0.0000(7) 0.0018(7)
C21U132 -0.0036(10) 0.0043(10)
C21U232 -0.0022(7) 0.0025(7)