metal-organic compounds
Ammonium tris(tetraethylammonium) hexacosaoxidooctamolybdate
aLaboratoire de Chimie des Matériaux, Faculté des Sciences, Université Mentouri, 25000, Constantine, Algeria, and bLaboratoire des Structures, Propriétés et Interactions Interatomiques, Centre Universitaire de Khenchela, 40000 Khenchela, Algeria
*Correspondence e-mail: benalicherif@hotmail.com
The structure of the title compound, NH4(C8H20N)3[Mo8O26], is built up by discrete cations and anions, with two formula units in the The β-octamolybdate anions are linked to the ammonium cations via N—H⋯O hydrogen bonding involving terminal oxide groups and to the tetraethylammonium cations via weak C—H⋯O interactions.
Related literature
For related literature, see: Böschen et al. (1974); Briceño & Atencio (2004); Chakrabarti & Natarajan (2002); Harrison et al. (1993); Hsieh et al. (1987); Lindqvist (1950); Liu & Guo (2007); Liu et al. (2006, 2008); Nelson et al. (2006, 2007); Niven et al. (1991); Rarig & Zubieta (2001); Román et al. (1994); Sun et al. (2006); Thorn et al. (2005); Wu et al. (2001); Xiao et al. (2005); Xu et al. (2003); Yan et al. (2003); Zhang et al. (2004).
Experimental
Crystal data
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Data collection
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Data collection: KappaCCD Server Software (Nonius, 1998); cell DENZO and SCALEPACK (Otwinowski & Minor, 1997); data reduction: DENZO and SCALEPACK; program(s) used to solve structure: SIR2004 (Burla et al., 2005); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997) and PLATON (Spek, 2003); software used to prepare material for publication: WinGX (Farrugia, 1999).
Supporting information
10.1107/S1600536808004182/bt2676sup1.cif
contains datablocks global, I. DOI:Structure factors: contains datablock I. DOI: 10.1107/S1600536808004182/bt2676Isup2.hkl
Single crystals of the title compound are prepared from a mixture of (NH4)6Mo7O24.1.5H2O (137 mg, 1 mmol), (C2H5)4NCl.H2O (386 mg, 3 mmol) and 3 ml H2O, heated in a Teflon-lined steel autoclave inside a programmable electric furnace at 160°C for 2 days. After cooling the autoclave to room temperature for 48 h, colorless crystals were obtained, filtered, washed with H2O, EtOH, Et2OH and dried in air.
The title compound crystallizes in the non centrosymmetric
P21 but the structure shows pseudo-symmetry m, which is fulfilled for approximately 91% of the atoms. in a higher symmetric is not possible. H atoms bonded to C were refined as riding with C—H distances of 0.97 Å or 0.96 Å and Uiso(H) = 1.2Ueq(C) or Uiso(H) = 1.5Ueq(C), for CH2 and CH3 groups respectively. Hydrogen atoms of the ammonium cations were located in difference Fourier syntheses and refined as riding with Uiso(H) = 0.036 Å2.Data collection: KappaCCD Server Software (Nonius, 1998); cell
DENZO and SCALEPAK (Otwinowski & Minor, 1997); data reduction: DENZO and SCALEPAK (Otwinowski & Minor, 1997); program(s) used to solve structure: SIR2004 (Burla et al., 2005); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997) and PLATON (Spek, 2003); software used to prepare material for publication: WinGX (Farrugia, 1999).Fig. 1. Asymmetric unit of the title compound, showing 30% probability displacement ellipsoids and arbitrary spheres for H atoms. | |
Fig. 2. A partial packing diagram of the title compound with N—H···O hydrogen bonds shown as dashed lines. |
NH4(C8H20N)3[Mo8O26] | F(000) = 3120 |
Mr = 1592.31 | Dx = 2.179 Mg m−3 |
Monoclinic, P21 | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: P 2yb | Cell parameters from 29087 reflections |
a = 10.7154 (2) Å | θ = 1.0–31.0° |
b = 22.8873 (3) Å | µ = 2.08 mm−1 |
c = 19.9338 (2) Å | T = 293 K |
β = 96.906 (8)° | Prism, colourless |
V = 4853.23 (12) Å3 | 0.25 × 0.15 × 0.05 mm |
Z = 4 |
Nonius KappaCCD diffractometer | 21795 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.074 |
Graphite monochromator | θmax = 31.0°, θmin = 1.0° |
ω/θ scans | h = −15→12 |
57681 measured reflections | k = −31→33 |
29087 independent reflections | l = −28→25 |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.048 | H-atom parameters constrained |
wR(F2) = 0.124 | w = 1/[σ2(Fo2) + (0.0616P)2] where P = (Fo2 + 2Fc2)/3 |
S = 1.01 | (Δ/σ)max = 0.003 |
29087 reflections | Δρmax = 0.86 e Å−3 |
1117 parameters | Δρmin = −1.29 e Å−3 |
1 restraint | Absolute structure: Flack (1983), with 13317 Friedel pairs |
Primary atom site location: structure-invariant direct methods | Absolute structure parameter: 0.17 (4) |
NH4(C8H20N)3[Mo8O26] | V = 4853.23 (12) Å3 |
Mr = 1592.31 | Z = 4 |
Monoclinic, P21 | Mo Kα radiation |
a = 10.7154 (2) Å | µ = 2.08 mm−1 |
b = 22.8873 (3) Å | T = 293 K |
c = 19.9338 (2) Å | 0.25 × 0.15 × 0.05 mm |
β = 96.906 (8)° |
Nonius KappaCCD diffractometer | 21795 reflections with I > 2σ(I) |
57681 measured reflections | Rint = 0.074 |
29087 independent reflections |
R[F2 > 2σ(F2)] = 0.048 | H-atom parameters constrained |
wR(F2) = 0.124 | Δρmax = 0.86 e Å−3 |
S = 1.01 | Δρmin = −1.29 e Å−3 |
29087 reflections | Absolute structure: Flack (1983), with 13317 Friedel pairs |
1117 parameters | Absolute structure parameter: 0.17 (4) |
1 restraint |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
C11B | 0.5900 (10) | −0.0413 (4) | −1.1150 (6) | 0.066 (3) | |
H11F | 0.6002 | −0.0562 | −1.1596 | 0.080* | |
H11G | 0.5827 | −0.0747 | −1.0858 | 0.080* | |
C12B | 0.4705 (11) | −0.0079 (6) | −1.1198 (6) | 0.090 (4) | |
H12F | 0.4019 | −0.0329 | −1.1367 | 0.135* | |
H12H | 0.4746 | 0.0245 | −1.1500 | 0.135* | |
H12G | 0.4576 | 0.0063 | −1.0759 | 0.135* | |
C17B | 0.8094 (10) | −0.0531 (4) | −1.0826 (6) | 0.062 (3) | |
H17G | 0.8087 | −0.0722 | −1.1261 | 0.074* | |
H17F | 0.7886 | −0.0824 | −1.0507 | 0.074* | |
C18B | 0.9424 (11) | −0.0322 (5) | −1.0604 (7) | 0.089 (4) | |
H18H | 0.9992 | −0.0647 | −1.0593 | 0.134* | |
H18F | 0.9466 | −0.0152 | −1.0161 | 0.134* | |
H18G | 0.9655 | −0.0034 | −1.0917 | 0.134* | |
C13B | 0.6950 (9) | 0.0206 (4) | −1.0217 (5) | 0.051 (2) | |
H13G | 0.7733 | 0.0405 | −1.0069 | 0.061* | |
H13F | 0.6298 | 0.0501 | −1.0289 | 0.061* | |
C14B | 0.6647 (11) | −0.0188 (5) | −0.9654 (6) | 0.072 (3) | |
H14H | 0.6587 | 0.0040 | −0.9255 | 0.108* | |
H14F | 0.7300 | −0.0474 | −0.9562 | 0.108* | |
H14G | 0.5860 | −0.0382 | −0.9786 | 0.108* | |
C15B | 0.7342 (10) | 0.0402 (4) | −1.1364 (4) | 0.056 (3) | |
H15F | 0.6614 | 0.0657 | −1.1421 | 0.067* | |
H15G | 0.8039 | 0.0629 | −1.1145 | 0.067* | |
C16B | 0.7648 (12) | 0.0237 (6) | −1.2051 (5) | 0.081 (3) | |
H16F | 0.7765 | 0.0585 | −1.2306 | 0.121* | |
H16H | 0.6971 | 0.0012 | −1.2279 | 0.121* | |
H16G | 0.8407 | 0.0010 | −1.2008 | 0.121* | |
C37A | 0.8065 (8) | 0.5109 (4) | −0.7215 (4) | 0.0412 (19) | |
H37C | 0.8783 | 0.4851 | −0.7117 | 0.049* | |
H37D | 0.7340 | 0.4867 | −0.7359 | 0.049* | |
C38A | 0.8300 (11) | 0.5503 (5) | −0.7793 (5) | 0.069 (3) | |
H38C | 0.8431 | 0.5269 | −0.8179 | 0.103* | |
H38D | 0.9032 | 0.5737 | −0.7663 | 0.103* | |
H38E | 0.7586 | 0.5752 | −0.7906 | 0.103* | |
C33A | 0.6717 (9) | 0.5826 (4) | −0.6681 (5) | 0.063 (3) | |
H33C | 0.6629 | 0.6025 | −0.6259 | 0.076* | |
H33D | 0.6894 | 0.6122 | −0.7006 | 0.076* | |
C34A | 0.5496 (10) | 0.5544 (5) | −0.6928 (6) | 0.079 (3) | |
H34E | 0.4855 | 0.5838 | −0.7007 | 0.119* | |
H34D | 0.5274 | 0.5273 | −0.6595 | 0.119* | |
H34C | 0.5572 | 0.5340 | −0.7342 | 0.119* | |
C31A | 0.7639 (10) | 0.4937 (4) | −0.6057 (4) | 0.055 (2) | |
H31C | 0.6935 | 0.4697 | −0.6242 | 0.066* | |
H31D | 0.8379 | 0.4690 | −0.5998 | 0.066* | |
C32A | 0.7386 (13) | 0.5163 (6) | −0.5368 (5) | 0.095 (4) | |
H32C | 0.7253 | 0.4839 | −0.5080 | 0.143* | |
H32D | 0.6652 | 0.5407 | −0.5420 | 0.143* | |
H32E | 0.8095 | 0.5387 | −0.5171 | 0.143* | |
C35A | 0.8932 (10) | 0.5803 (4) | −0.6292 (5) | 0.068 (3) | |
H35C | 0.8783 | 0.5944 | −0.5850 | 0.081* | |
H35D | 0.8951 | 0.6140 | −0.6586 | 0.081* | |
C36A | 1.0221 (10) | 0.5509 (5) | −0.6228 (6) | 0.093 (4) | |
H36D | 1.0853 | 0.5783 | −0.6049 | 0.139* | |
H36E | 1.0396 | 0.5380 | −0.6665 | 0.139* | |
H36C | 1.0224 | 0.5180 | −0.5930 | 0.139* | |
C31B | 0.7787 (12) | 0.4874 (5) | −1.1157 (5) | 0.073 (3) | |
H31F | 0.7046 | 0.4664 | −1.1355 | 0.088* | |
H31G | 0.8496 | 0.4609 | −1.1146 | 0.088* | |
C32B | 0.7615 (14) | 0.5032 (7) | −1.0450 (7) | 0.117 (5) | |
H32F | 0.7463 | 0.4685 | −1.0202 | 0.176* | |
H32G | 0.6912 | 0.5292 | −1.0452 | 0.176* | |
H32H | 0.8360 | 0.5222 | −1.0239 | 0.176* | |
C36B | 1.0417 (10) | 0.5365 (6) | −1.1401 (6) | 0.090 (4) | |
H36G | 1.1121 | 0.5606 | −1.1236 | 0.135* | |
H36H | 1.0488 | 0.5250 | −1.1858 | 0.135* | |
H36F | 1.0408 | 0.5023 | −1.1123 | 0.135* | |
C35B | 0.9245 (10) | 0.5695 (6) | −1.1379 (7) | 0.099 (4) | |
H35F | 0.9298 | 0.6047 | −1.1645 | 0.119* | |
H35G | 0.9212 | 0.5816 | −1.0916 | 0.119* | |
C33B | 0.7009 (11) | 0.5859 (5) | −1.1646 (7) | 0.082 (4) | |
H33F | 0.7056 | 0.6041 | −1.1204 | 0.099* | |
H33G | 0.7190 | 0.6157 | −1.1965 | 0.099* | |
C34B | 0.5712 (10) | 0.5651 (6) | −1.1835 (8) | 0.101 (5) | |
H34H | 0.5144 | 0.5977 | −1.1852 | 0.152* | |
H34G | 0.5497 | 0.5375 | −1.1505 | 0.152* | |
H34F | 0.5649 | 0.5467 | −1.2270 | 0.152* | |
C38B | 0.8294 (12) | 0.5536 (6) | −1.2869 (6) | 0.099 (5) | |
H38F | 0.8290 | 0.5321 | −1.3283 | 0.149* | |
H38G | 0.9102 | 0.5715 | −1.2755 | 0.149* | |
H38H | 0.7657 | 0.5832 | −1.2924 | 0.149* | |
C37B | 0.8032 (9) | 0.5122 (4) | −1.2306 (5) | 0.057 (3) | |
H37G | 0.7225 | 0.4936 | −1.2436 | 0.069* | |
H37F | 0.8666 | 0.4817 | −1.2268 | 0.069* | |
C26B | 0.6949 (9) | 0.3370 (6) | −0.9758 (6) | 0.098 (5) | |
H26H | 0.6245 | 0.3564 | −1.0007 | 0.148* | |
H26F | 0.7330 | 0.3112 | −1.0055 | 0.148* | |
H26G | 0.7554 | 0.3655 | −0.9576 | 0.148* | |
C25B | 0.6511 (6) | 0.3026 (3) | −0.9195 (3) | 0.0489 (17) | |
H25G | 0.5889 | 0.2746 | −0.9389 | 0.059* | |
H25F | 0.6091 | 0.3291 | −0.8916 | 0.059* | |
C27B | 0.6876 (7) | 0.2404 (4) | −0.8198 (4) | 0.061 (2) | |
H27F | 0.6205 | 0.2161 | −0.8415 | 0.073* | |
H27G | 0.6492 | 0.2706 | −0.7949 | 0.073* | |
C28B | 0.7712 (11) | 0.2031 (7) | −0.7696 (6) | 0.109 (5) | |
H28G | 0.7218 | 0.1865 | −0.7373 | 0.163* | |
H28F | 0.8367 | 0.2269 | −0.7466 | 0.163* | |
H28H | 0.8080 | 0.1722 | −0.7934 | 0.163* | |
C21B | 0.8170 (7) | 0.2264 (4) | −0.9148 (4) | 0.056 (2) | |
H21F | 0.8832 | 0.2068 | −0.8858 | 0.067* | |
H21G | 0.8561 | 0.2476 | −0.9489 | 0.067* | |
C22B | 0.7296 (10) | 0.1811 (7) | −0.9492 (7) | 0.118 (5) | |
H22G | 0.7759 | 0.1555 | −0.9754 | 0.177* | |
H22H | 0.6642 | 0.2001 | −0.9784 | 0.177* | |
H22F | 0.6931 | 0.1587 | −0.9157 | 0.177* | |
C23B | 0.8546 (6) | 0.3111 (4) | −0.8435 (4) | 0.0550 (19) | |
H23F | 0.9185 | 0.2889 | −0.8159 | 0.066* | |
H23G | 0.8939 | 0.3282 | −0.8803 | 0.066* | |
C25A | −0.1879 (7) | 0.2949 (4) | −0.4261 (4) | 0.065 (2) | |
H25D | −0.1448 | 0.2662 | −0.4508 | 0.078* | |
H25C | −0.1250 | 0.3213 | −0.4039 | 0.078* | |
C26A | −0.2785 (12) | 0.3297 (7) | −0.4761 (7) | 0.124 (6) | |
H26E | −0.2325 | 0.3484 | −0.5086 | 0.186* | |
H26D | −0.3201 | 0.3588 | −0.4521 | 0.186* | |
H26C | −0.3399 | 0.3038 | −0.4990 | 0.186* | |
C27A | −0.1540 (6) | 0.2306 (4) | −0.3304 (3) | 0.0507 (18) | |
H27D | −0.0903 | 0.2578 | −0.3109 | 0.061* | |
H27C | −0.1143 | 0.2040 | −0.3593 | 0.061* | |
C28A | −0.2019 (11) | 0.1955 (6) | −0.2736 (6) | 0.092 (4) | |
H28D | −0.1328 | 0.1756 | −0.2482 | 0.139* | |
H28E | −0.2627 | 0.1674 | −0.2925 | 0.139* | |
H28C | −0.2404 | 0.2215 | −0.2443 | 0.139* | |
C21A | −0.3582 (7) | 0.2250 (4) | −0.4049 (4) | 0.059 (2) | |
H21C | −0.4010 | 0.2079 | −0.3694 | 0.070* | |
H21D | −0.4185 | 0.2492 | −0.4324 | 0.070* | |
C22A | −0.3181 (9) | 0.1771 (6) | −0.4477 (7) | 0.114 (5) | |
H22D | −0.3903 | 0.1548 | −0.4659 | 0.171* | |
H22C | −0.2600 | 0.1521 | −0.4209 | 0.171* | |
H22E | −0.2782 | 0.1933 | −0.4840 | 0.171* | |
C23A | −0.3159 (7) | 0.3067 (4) | −0.3295 (4) | 0.0575 (19) | |
H23C | −0.3591 | 0.2848 | −0.2976 | 0.069* | |
H23D | −0.3791 | 0.3281 | −0.3586 | 0.069* | |
C15A | 0.7166 (12) | 0.0417 (4) | −0.6414 (5) | 0.070 (3) | |
H15C | 0.6406 | 0.0651 | −0.6455 | 0.084* | |
H15D | 0.7853 | 0.0669 | −0.6232 | 0.084* | |
C16A | 0.7398 (15) | 0.0239 (6) | −0.7106 (6) | 0.111 (5) | |
H16C | 0.7429 | 0.0580 | −0.7384 | 0.167* | |
H16E | 0.6732 | −0.0012 | −0.7298 | 0.167* | |
H16D | 0.8184 | 0.0034 | −0.7083 | 0.167* | |
C11A | 0.5875 (13) | −0.0434 (4) | −0.6125 (7) | 0.089 (4) | |
H11C | 0.5995 | −0.0625 | −0.6546 | 0.106* | |
H11D | 0.5840 | −0.0738 | −0.5788 | 0.106* | |
C12A | 0.4644 (12) | −0.0134 (7) | −0.6217 (6) | 0.101 (4) | |
H12C | 0.3991 | −0.0414 | −0.6343 | 0.152* | |
H12E | 0.4643 | 0.0156 | −0.6566 | 0.152* | |
H12D | 0.4498 | 0.0052 | −0.5802 | 0.152* | |
C13A | 0.6887 (11) | 0.0267 (5) | −0.5263 (5) | 0.064 (3) | |
H13D | 0.6175 | 0.0530 | −0.5348 | 0.077* | |
H13C | 0.7630 | 0.0506 | −0.5147 | 0.077* | |
C14A | 0.6698 (12) | −0.0111 (5) | −0.4652 (6) | 0.087 (4) | |
H14E | 0.6620 | 0.0136 | −0.4270 | 0.131* | |
H14C | 0.7407 | −0.0366 | −0.4552 | 0.131* | |
H14D | 0.5948 | −0.0340 | −0.4751 | 0.131* | |
C17A | 0.8105 (12) | −0.0467 (6) | −0.5868 (8) | 0.095 (4) | |
H17D | 0.8079 | −0.0670 | −0.6296 | 0.114* | |
H17C | 0.7995 | −0.0756 | −0.5525 | 0.114* | |
C18A | 0.9391 (14) | −0.0192 (7) | −0.5705 (8) | 0.128 (6) | |
H18E | 1.0026 | −0.0488 | −0.5711 | 0.192* | |
H18C | 0.9455 | −0.0017 | −0.5265 | 0.192* | |
H18D | 0.9507 | 0.0101 | −0.6035 | 0.192* | |
C24B | 0.8107 (10) | 0.3601 (6) | −0.8011 (7) | 0.120 (6) | |
H24F | 0.8811 | 0.3842 | −0.7846 | 0.180* | |
H24H | 0.7741 | 0.3439 | −0.7635 | 0.180* | |
H24G | 0.7492 | 0.3832 | −0.8281 | 0.180* | |
C24A | −0.2284 (10) | 0.3512 (6) | −0.2896 (7) | 0.106 (4) | |
H24C | −0.2771 | 0.3764 | −0.2642 | 0.159* | |
H24D | −0.1867 | 0.3742 | −0.3204 | 0.159* | |
H24E | −0.1670 | 0.3309 | −0.2592 | 0.159* | |
O63A | 0.4350 (4) | 0.2364 (2) | −0.5727 (2) | 0.0240 (10) | |
O63B | 0.4454 (4) | 0.2441 (2) | −1.0729 (2) | 0.0251 (10) | |
O33A | 0.0596 (4) | 0.3021 (2) | −0.6769 (2) | 0.0293 (11) | |
O84B | 0.0628 (5) | 0.1691 (2) | −1.1462 (2) | 0.0319 (11) | |
O33B | 0.0529 (4) | 0.2868 (2) | −1.1749 (2) | 0.0277 (11) | |
O82A | 0.2989 (5) | 0.2895 (2) | −0.6797 (2) | 0.0260 (11) | |
O83A | 0.2917 (4) | 0.1778 (2) | −0.6589 (2) | 0.0273 (10) | |
O83B | 0.3178 (5) | 0.1763 (2) | −1.1557 (2) | 0.0275 (10) | |
O72A | 0.1962 (4) | 0.2486 (2) | −0.5683 (2) | 0.0236 (11) | |
O82B | 0.2924 (5) | 0.2873 (2) | −1.1802 (2) | 0.0244 (10) | |
O21A | 0.0558 (5) | 0.1961 (2) | −0.4558 (2) | 0.0399 (13) | |
O74B | 0.4374 (4) | 0.3622 (2) | −1.1003 (2) | 0.0291 (10) | |
O22A | −0.0928 (5) | 0.1334 (2) | −0.5480 (3) | 0.0475 (13) | |
O42B | 0.1132 (5) | 0.3393 (3) | −1.2918 (2) | 0.0411 (13) | |
O73A | 0.2035 (5) | 0.3600 (2) | −0.5897 (2) | 0.0263 (10) | |
O72B | 0.2058 (4) | 0.2430 (2) | −1.0658 (2) | 0.0225 (10) | |
O51A | 0.4373 (5) | 0.3422 (3) | −0.7930 (3) | 0.0415 (13) | |
O73B | 0.1823 (4) | 0.3543 (2) | −1.0915 (2) | 0.0246 (9) | |
O32B | 0.0710 (5) | 0.3227 (3) | −0.9782 (2) | 0.0373 (13) | |
O41A | 0.0695 (5) | 0.4257 (2) | −0.6961 (3) | 0.0434 (13) | |
O31B | −0.0832 (5) | 0.3561 (2) | −1.0875 (2) | 0.0443 (13) | |
O52A | 0.5870 (5) | 0.4049 (2) | −0.7032 (3) | 0.0484 (14) | |
O84A | 0.0366 (4) | 0.1842 (2) | −0.6525 (2) | 0.0319 (11) | |
O13A | 0.1705 (4) | 0.1343 (2) | −0.5490 (2) | 0.0324 (11) | |
O22B | −0.0431 (5) | 0.1136 (2) | −1.0348 (3) | 0.0478 (14) | |
O43A | 0.3238 (5) | 0.4046 (2) | −0.6998 (2) | 0.0328 (11) | |
O23A | −0.0547 (5) | 0.2549 (2) | −0.5672 (2) | 0.0322 (11) | |
O62B | 0.4271 (5) | 0.2088 (3) | −1.2696 (3) | 0.0417 (14) | |
O42A | 0.1404 (5) | 0.3521 (3) | −0.7901 (2) | 0.0393 (13) | |
O81B | 0.1379 (5) | 0.2055 (2) | −1.2653 (2) | 0.0328 (12) | |
O11A | 0.4260 (5) | 0.1128 (2) | −0.5524 (3) | 0.0423 (13) | |
O61A | 0.5559 (5) | 0.1622 (2) | −0.6610 (3) | 0.0455 (13) | |
O62A | 0.4122 (5) | 0.2059 (2) | −0.7701 (3) | 0.0391 (13) | |
O12B | 0.3875 (5) | 0.1922 (3) | −0.9539 (2) | 0.0391 (12) | |
O52B | 0.5442 (5) | 0.4169 (2) | −1.2100 (3) | 0.0456 (13) | |
O41B | 0.0283 (5) | 0.4094 (2) | −1.1990 (3) | 0.0432 (13) | |
O71A | 0.3722 (5) | 0.3209 (3) | −0.4789 (2) | 0.0362 (12) | |
O71B | 0.3627 (5) | 0.3265 (2) | −0.9816 (2) | 0.0328 (12) | |
O32A | 0.0814 (5) | 0.3313 (3) | −0.4784 (3) | 0.0393 (13) | |
O51B | 0.4086 (5) | 0.3439 (3) | −1.2959 (3) | 0.0433 (13) | |
O53A | 0.5489 (4) | 0.2832 (2) | −0.6818 (3) | 0.0306 (11) | |
O74A | 0.4590 (5) | 0.3546 (2) | −0.5951 (2) | 0.0301 (10) | |
O23B | −0.0423 (5) | 0.2361 (2) | −1.0614 (2) | 0.0318 (11) | |
O12A | 0.3559 (5) | 0.1859 (3) | −0.4581 (2) | 0.0406 (13) | |
O53B | 0.5426 (4) | 0.2943 (2) | −1.1851 (3) | 0.0317 (11) | |
O61B | 0.5830 (5) | 0.1748 (3) | −1.1601 (3) | 0.0466 (13) | |
O81A | 0.1240 (5) | 0.2178 (2) | −0.7693 (2) | 0.0363 (12) | |
O31A | −0.0594 (5) | 0.3763 (2) | −0.5860 (3) | 0.0469 (14) | |
O11B | 0.4731 (5) | 0.1207 (2) | −1.0460 (3) | 0.0448 (14) | |
O21B | 0.0913 (5) | 0.1883 (2) | −0.9499 (2) | 0.0374 (12) | |
O13B | 0.2153 (5) | 0.1291 (2) | −1.0418 (2) | 0.0343 (11) | |
O43B | 0.2849 (5) | 0.4023 (2) | −1.2039 (2) | 0.0342 (11) | |
Mo8B | 0.16071 (6) | 0.21879 (2) | −1.18123 (3) | 0.02338 (12) | |
Mo6B | 0.46244 (6) | 0.22070 (3) | −1.18465 (3) | 0.02825 (13) | |
Mo8A | 0.14772 (6) | 0.22861 (2) | −0.68488 (3) | 0.02326 (13) | |
Mo7A | 0.34782 (6) | 0.30996 (3) | −0.56384 (3) | 0.02454 (12) | |
Mo7B | 0.33886 (6) | 0.31190 (2) | −1.06563 (3) | 0.02297 (12) | |
Mo5B | 0.44034 (6) | 0.36111 (3) | −1.21243 (3) | 0.03065 (14) | |
Mo3A | 0.04691 (6) | 0.32317 (3) | −0.56325 (3) | 0.02823 (14) | |
Mo3B | 0.03669 (6) | 0.31022 (3) | −1.06231 (3) | 0.02674 (13) | |
Mo2A | 0.02633 (6) | 0.18241 (3) | −0.54103 (3) | 0.02875 (13) | |
Mo2B | 0.05973 (6) | 0.17012 (3) | −1.03372 (3) | 0.02931 (13) | |
Mo6A | 0.44880 (6) | 0.21524 (2) | −0.68482 (3) | 0.02695 (13) | |
Mo4A | 0.16441 (6) | 0.36812 (2) | −0.70606 (3) | 0.02810 (13) | |
Mo5A | 0.46756 (6) | 0.35566 (3) | −0.70857 (3) | 0.02927 (13) | |
Mo4B | 0.13666 (6) | 0.35758 (2) | −1.20848 (3) | 0.02786 (13) | |
Mo1A | 0.33042 (6) | 0.17053 (2) | −0.54277 (3) | 0.02758 (13) | |
Mo1B | 0.36327 (6) | 0.17345 (2) | −1.03793 (3) | 0.02745 (13) | |
N1B | 0.7074 (7) | −0.0082 (3) | −1.0889 (4) | 0.0454 (17) | |
N3A | 0.7839 (7) | 0.5418 (3) | −0.6566 (4) | 0.0444 (17) | |
N3B | 0.8013 (8) | 0.5396 (3) | −1.1623 (4) | 0.059 (2) | |
N2B | 0.7529 (7) | 0.2690 (4) | −0.8734 (4) | 0.0378 (10) | |
N2A | −0.2534 (7) | 0.2637 (4) | −0.3725 (4) | 0.0391 (12) | |
N1A | 0.7031 (8) | −0.0053 (3) | −0.5909 (4) | 0.060 (2) | |
N4A | 0.2511 (8) | 0.2697 (4) | −0.8729 (4) | 0.0364 (10) | |
N4B | 0.2417 (8) | 0.2655 (4) | −1.3738 (4) | 0.0364 (11) | |
H1N | 0.2450 | 0.2606 | −0.9128 | 0.036* | |
H2N | 0.2805 | 0.3089 | −0.8656 | 0.036* | |
H3N | 0.3051 | 0.2519 | −0.8596 | 0.036* | |
H4N | 0.1832 | 0.2583 | −0.8486 | 0.036* | |
H5N | 0.2301 | 0.2638 | −1.4164 | 0.036* | |
H6N | 0.3010 | 0.2356 | −1.3606 | 0.036* | |
H7N | 0.1723 | 0.2543 | −1.3497 | 0.036* | |
H8N | 0.2696 | 0.3050 | −1.3668 | 0.036* |
U11 | U22 | U33 | U12 | U13 | U23 | |
C11B | 0.075 (6) | 0.034 (4) | 0.085 (6) | −0.012 (4) | −0.015 (5) | −0.015 (4) |
C12B | 0.076 (8) | 0.092 (9) | 0.096 (8) | −0.023 (7) | −0.014 (6) | −0.024 (7) |
C17B | 0.069 (6) | 0.033 (4) | 0.085 (7) | 0.016 (4) | 0.018 (5) | −0.010 (4) |
C18B | 0.063 (6) | 0.053 (6) | 0.153 (11) | 0.026 (5) | 0.015 (7) | −0.013 (7) |
C13B | 0.054 (6) | 0.039 (5) | 0.056 (5) | 0.005 (4) | −0.002 (4) | 0.001 (4) |
C14B | 0.077 (8) | 0.052 (6) | 0.091 (8) | −0.009 (6) | 0.028 (6) | 0.007 (5) |
C15B | 0.083 (7) | 0.031 (4) | 0.052 (5) | −0.012 (4) | 0.000 (4) | −0.011 (4) |
C16B | 0.124 (9) | 0.057 (6) | 0.061 (6) | −0.003 (6) | 0.010 (6) | −0.005 (5) |
C37A | 0.047 (5) | 0.022 (3) | 0.054 (4) | 0.000 (3) | 0.001 (4) | −0.012 (3) |
C38A | 0.075 (7) | 0.063 (6) | 0.065 (6) | −0.012 (6) | −0.003 (5) | 0.013 (5) |
C33A | 0.069 (6) | 0.037 (5) | 0.078 (6) | 0.024 (4) | −0.011 (5) | −0.012 (4) |
C34A | 0.055 (6) | 0.073 (7) | 0.103 (8) | 0.025 (5) | −0.017 (5) | −0.012 (6) |
C31A | 0.072 (6) | 0.039 (5) | 0.052 (5) | 0.008 (4) | 0.002 (4) | −0.001 (4) |
C32A | 0.144 (11) | 0.087 (9) | 0.056 (6) | 0.000 (9) | 0.018 (7) | −0.012 (6) |
C35A | 0.080 (7) | 0.040 (5) | 0.076 (6) | −0.014 (5) | −0.019 (5) | −0.008 (4) |
C36A | 0.070 (7) | 0.065 (7) | 0.131 (10) | −0.012 (6) | −0.042 (7) | 0.011 (7) |
C31B | 0.097 (8) | 0.038 (5) | 0.080 (7) | 0.023 (5) | −0.012 (6) | −0.013 (5) |
C32B | 0.125 (12) | 0.122 (12) | 0.103 (10) | 0.034 (10) | 0.006 (8) | −0.008 (9) |
C36B | 0.060 (6) | 0.081 (8) | 0.121 (9) | 0.010 (6) | −0.019 (6) | −0.040 (7) |
C35B | 0.068 (7) | 0.076 (8) | 0.143 (11) | 0.004 (6) | −0.030 (7) | −0.041 (7) |
C33B | 0.086 (8) | 0.034 (5) | 0.127 (10) | 0.013 (5) | 0.011 (7) | 0.000 (6) |
C34B | 0.054 (6) | 0.064 (7) | 0.184 (14) | 0.010 (5) | 0.004 (7) | 0.027 (8) |
C38B | 0.100 (10) | 0.081 (9) | 0.107 (9) | 0.009 (8) | −0.025 (7) | 0.048 (7) |
C37B | 0.058 (6) | 0.035 (5) | 0.072 (6) | 0.011 (4) | −0.023 (5) | −0.013 (4) |
C26B | 0.046 (5) | 0.133 (12) | 0.114 (9) | −0.022 (6) | −0.003 (5) | 0.059 (8) |
C25B | 0.031 (3) | 0.065 (5) | 0.048 (4) | −0.001 (3) | −0.004 (3) | 0.010 (4) |
C27B | 0.043 (4) | 0.084 (7) | 0.061 (5) | 0.013 (4) | 0.024 (4) | 0.016 (4) |
C28B | 0.081 (8) | 0.162 (13) | 0.091 (8) | 0.057 (8) | 0.040 (6) | 0.079 (8) |
C21B | 0.040 (4) | 0.060 (5) | 0.071 (5) | −0.003 (4) | 0.022 (3) | −0.023 (4) |
C22B | 0.072 (8) | 0.110 (10) | 0.176 (12) | −0.011 (8) | 0.027 (8) | −0.087 (10) |
C23B | 0.032 (4) | 0.065 (5) | 0.064 (5) | 0.009 (4) | −0.008 (3) | −0.009 (4) |
C25A | 0.043 (4) | 0.091 (7) | 0.067 (5) | 0.015 (4) | 0.028 (4) | 0.025 (5) |
C26A | 0.084 (8) | 0.170 (15) | 0.127 (11) | 0.045 (9) | 0.051 (8) | 0.094 (10) |
C27A | 0.032 (4) | 0.066 (5) | 0.053 (4) | 0.006 (3) | 0.005 (3) | −0.007 (4) |
C28A | 0.087 (8) | 0.108 (10) | 0.079 (7) | 0.007 (7) | 0.001 (6) | 0.055 (7) |
C21A | 0.040 (4) | 0.062 (5) | 0.070 (5) | 0.006 (4) | −0.009 (3) | −0.018 (4) |
C22A | 0.057 (7) | 0.111 (10) | 0.166 (11) | 0.032 (7) | −0.022 (7) | −0.077 (9) |
C23A | 0.045 (4) | 0.065 (5) | 0.065 (5) | 0.003 (4) | 0.016 (3) | −0.007 (4) |
C15A | 0.094 (8) | 0.034 (4) | 0.075 (6) | 0.004 (5) | −0.016 (6) | −0.010 (4) |
C16A | 0.186 (15) | 0.070 (8) | 0.078 (8) | 0.014 (9) | 0.013 (8) | −0.021 (6) |
C11A | 0.124 (10) | 0.028 (5) | 0.105 (8) | −0.010 (6) | −0.020 (7) | −0.023 (5) |
C12A | 0.093 (9) | 0.104 (10) | 0.102 (9) | −0.036 (8) | −0.013 (7) | −0.033 (8) |
C13A | 0.070 (7) | 0.048 (6) | 0.071 (6) | 0.002 (5) | −0.007 (5) | 0.001 (5) |
C14A | 0.096 (9) | 0.061 (7) | 0.105 (9) | 0.001 (7) | 0.013 (7) | 0.005 (7) |
C17A | 0.093 (9) | 0.060 (7) | 0.137 (11) | 0.042 (7) | 0.034 (8) | 0.007 (7) |
C18A | 0.089 (10) | 0.128 (13) | 0.164 (14) | 0.037 (9) | 0.002 (9) | 0.026 (10) |
C24B | 0.076 (7) | 0.120 (11) | 0.152 (11) | 0.030 (8) | −0.033 (7) | −0.095 (10) |
C24A | 0.062 (7) | 0.098 (9) | 0.161 (11) | −0.018 (7) | 0.027 (7) | −0.068 (8) |
O63A | 0.024 (2) | 0.021 (2) | 0.027 (2) | −0.0004 (17) | 0.0073 (17) | 0.0003 (16) |
O63B | 0.024 (2) | 0.024 (2) | 0.027 (2) | 0.0006 (17) | 0.0062 (18) | 0.0040 (16) |
O33A | 0.025 (2) | 0.023 (2) | 0.039 (3) | 0.0057 (19) | 0.0019 (19) | 0.0062 (19) |
O84B | 0.033 (2) | 0.030 (2) | 0.032 (2) | −0.003 (2) | 0.0007 (18) | 0.0052 (19) |
O33B | 0.027 (2) | 0.025 (2) | 0.031 (2) | −0.0007 (19) | 0.0002 (18) | −0.0007 (17) |
O82A | 0.029 (3) | 0.021 (2) | 0.029 (3) | 0.002 (2) | 0.007 (2) | 0.0037 (18) |
O83A | 0.027 (2) | 0.022 (2) | 0.034 (2) | −0.0004 (19) | 0.0079 (17) | −0.0006 (18) |
O83B | 0.032 (2) | 0.020 (2) | 0.031 (2) | 0.0044 (19) | 0.0050 (17) | −0.0010 (18) |
O72A | 0.025 (2) | 0.025 (2) | 0.021 (2) | 0.0009 (19) | 0.0013 (18) | 0.0002 (17) |
O82B | 0.028 (2) | 0.020 (2) | 0.026 (2) | 0.0005 (19) | 0.0077 (19) | 0.0023 (16) |
O21A | 0.049 (3) | 0.038 (3) | 0.035 (3) | 0.001 (2) | 0.012 (2) | 0.008 (2) |
O74B | 0.033 (2) | 0.025 (2) | 0.030 (2) | −0.0071 (19) | 0.0081 (17) | −0.0047 (17) |
O22A | 0.046 (3) | 0.039 (3) | 0.059 (3) | −0.010 (2) | 0.016 (2) | 0.006 (2) |
O42B | 0.050 (3) | 0.043 (3) | 0.031 (2) | 0.007 (2) | 0.007 (2) | 0.008 (2) |
O73A | 0.032 (2) | 0.017 (2) | 0.032 (2) | 0.0013 (18) | 0.0085 (17) | −0.0016 (17) |
O72B | 0.027 (2) | 0.019 (2) | 0.022 (2) | −0.0033 (19) | 0.0052 (18) | −0.0002 (15) |
O51A | 0.049 (3) | 0.041 (3) | 0.035 (3) | −0.001 (2) | 0.009 (2) | 0.006 (2) |
O73B | 0.030 (2) | 0.016 (2) | 0.029 (2) | −0.0002 (18) | 0.0079 (16) | −0.0002 (17) |
O32B | 0.041 (3) | 0.038 (3) | 0.034 (3) | −0.001 (2) | 0.012 (2) | −0.006 (2) |
O41A | 0.044 (3) | 0.035 (3) | 0.053 (3) | 0.012 (2) | 0.014 (2) | 0.009 (2) |
O31B | 0.045 (3) | 0.044 (3) | 0.045 (3) | 0.009 (3) | 0.010 (2) | 0.010 (2) |
O52A | 0.049 (3) | 0.039 (3) | 0.059 (3) | −0.021 (2) | 0.010 (2) | −0.003 (2) |
O84A | 0.032 (2) | 0.028 (2) | 0.037 (2) | −0.002 (2) | 0.0071 (18) | 0.0022 (19) |
O13A | 0.039 (3) | 0.019 (2) | 0.041 (2) | 0.005 (2) | 0.009 (2) | 0.0049 (17) |
O22B | 0.047 (3) | 0.044 (3) | 0.055 (3) | −0.013 (2) | 0.015 (2) | 0.005 (2) |
O43A | 0.041 (3) | 0.024 (2) | 0.035 (2) | −0.001 (2) | 0.0079 (19) | 0.0022 (18) |
O23A | 0.032 (2) | 0.030 (3) | 0.036 (2) | −0.002 (2) | 0.007 (2) | 0.0015 (19) |
O62B | 0.049 (3) | 0.041 (3) | 0.039 (3) | −0.003 (3) | 0.017 (2) | −0.006 (2) |
O42A | 0.041 (3) | 0.047 (3) | 0.030 (2) | 0.002 (2) | 0.0039 (19) | 0.006 (2) |
O81B | 0.036 (3) | 0.035 (3) | 0.028 (2) | −0.003 (2) | 0.0022 (19) | −0.0008 (19) |
O11A | 0.047 (3) | 0.033 (3) | 0.048 (3) | 0.007 (2) | 0.010 (2) | 0.010 (2) |
O61A | 0.041 (3) | 0.033 (3) | 0.066 (3) | 0.010 (2) | 0.018 (2) | 0.009 (2) |
O62A | 0.049 (3) | 0.031 (3) | 0.039 (3) | −0.006 (2) | 0.013 (2) | −0.004 (2) |
O12B | 0.045 (3) | 0.041 (3) | 0.032 (2) | 0.001 (2) | 0.005 (2) | 0.009 (2) |
O52B | 0.049 (3) | 0.036 (3) | 0.054 (3) | −0.012 (2) | 0.011 (2) | 0.004 (2) |
O41B | 0.050 (3) | 0.028 (3) | 0.052 (3) | 0.016 (2) | 0.008 (2) | 0.007 (2) |
O71A | 0.039 (3) | 0.041 (3) | 0.029 (2) | 0.000 (2) | 0.006 (2) | −0.006 (2) |
O71B | 0.035 (3) | 0.034 (3) | 0.030 (2) | 0.001 (2) | 0.006 (2) | −0.0023 (19) |
O32A | 0.048 (3) | 0.040 (3) | 0.033 (3) | 0.003 (3) | 0.015 (2) | −0.002 (2) |
O51B | 0.056 (3) | 0.042 (3) | 0.034 (3) | 0.005 (3) | 0.011 (2) | 0.006 (2) |
O53A | 0.024 (2) | 0.030 (2) | 0.038 (3) | 0.0036 (19) | 0.0071 (19) | −0.0018 (18) |
O74A | 0.036 (2) | 0.027 (2) | 0.029 (2) | −0.009 (2) | 0.0059 (17) | −0.0055 (18) |
O23B | 0.031 (2) | 0.031 (2) | 0.035 (2) | −0.009 (2) | 0.0106 (19) | −0.0003 (19) |
O12A | 0.049 (3) | 0.043 (3) | 0.030 (2) | 0.003 (2) | 0.006 (2) | 0.011 (2) |
O53B | 0.026 (2) | 0.032 (2) | 0.039 (3) | 0.0034 (19) | 0.0110 (19) | 0.0025 (19) |
O61B | 0.038 (3) | 0.040 (3) | 0.064 (3) | 0.014 (2) | 0.016 (2) | 0.004 (2) |
O81A | 0.042 (3) | 0.036 (3) | 0.031 (2) | −0.004 (2) | 0.005 (2) | 0.002 (2) |
O31A | 0.048 (3) | 0.041 (3) | 0.054 (3) | 0.013 (3) | 0.018 (2) | 0.015 (2) |
O11B | 0.043 (3) | 0.038 (3) | 0.052 (3) | 0.018 (2) | 0.004 (2) | 0.006 (2) |
O21B | 0.046 (3) | 0.037 (3) | 0.032 (2) | −0.005 (2) | 0.011 (2) | 0.006 (2) |
O13B | 0.042 (3) | 0.020 (2) | 0.041 (3) | −0.002 (2) | 0.007 (2) | 0.0065 (18) |
O43B | 0.041 (3) | 0.027 (2) | 0.036 (2) | 0.002 (2) | 0.012 (2) | 0.0104 (18) |
Mo8B | 0.0270 (3) | 0.0207 (3) | 0.0225 (3) | −0.0004 (2) | 0.0030 (2) | −0.0018 (2) |
Mo6B | 0.0306 (3) | 0.0261 (3) | 0.0298 (3) | 0.0032 (2) | 0.0105 (2) | 0.0000 (2) |
Mo8A | 0.0264 (3) | 0.0210 (3) | 0.0224 (3) | −0.0009 (2) | 0.0030 (2) | −0.0005 (2) |
Mo7A | 0.0288 (3) | 0.0222 (3) | 0.0226 (3) | −0.0008 (2) | 0.0030 (2) | −0.0018 (2) |
Mo7B | 0.0260 (3) | 0.0204 (2) | 0.0226 (3) | −0.0012 (2) | 0.0030 (2) | −0.0008 (2) |
Mo5B | 0.0348 (3) | 0.0273 (3) | 0.0314 (3) | −0.0043 (3) | 0.0104 (2) | 0.0050 (2) |
Mo3A | 0.0317 (3) | 0.0230 (3) | 0.0318 (3) | 0.0043 (2) | 0.0112 (2) | 0.0006 (2) |
Mo3B | 0.0278 (3) | 0.0247 (3) | 0.0291 (3) | 0.0021 (2) | 0.0088 (2) | 0.0007 (2) |
Mo2A | 0.0308 (3) | 0.0250 (3) | 0.0317 (3) | −0.0031 (2) | 0.0088 (2) | 0.0037 (2) |
Mo2B | 0.0332 (3) | 0.0248 (3) | 0.0311 (3) | −0.0058 (2) | 0.0087 (2) | 0.0031 (2) |
Mo6A | 0.0297 (3) | 0.0225 (3) | 0.0304 (3) | 0.0024 (2) | 0.0108 (2) | 0.0003 (2) |
Mo4A | 0.0326 (3) | 0.0226 (3) | 0.0297 (3) | 0.0047 (2) | 0.0060 (2) | 0.0066 (2) |
Mo5A | 0.0335 (3) | 0.0238 (3) | 0.0319 (3) | −0.0051 (2) | 0.0095 (2) | 0.0009 (2) |
Mo4B | 0.0321 (3) | 0.0242 (3) | 0.0276 (3) | 0.0052 (2) | 0.0049 (2) | 0.0056 (2) |
Mo1A | 0.0307 (3) | 0.0237 (3) | 0.0288 (3) | 0.0043 (2) | 0.0054 (2) | 0.0070 (2) |
Mo1B | 0.0312 (3) | 0.0230 (3) | 0.0283 (3) | 0.0049 (2) | 0.0042 (2) | 0.0055 (2) |
N1B | 0.048 (4) | 0.024 (3) | 0.061 (4) | 0.002 (3) | −0.004 (3) | −0.011 (3) |
N3A | 0.054 (4) | 0.024 (3) | 0.053 (4) | 0.001 (3) | −0.004 (3) | −0.010 (3) |
N3B | 0.071 (6) | 0.028 (4) | 0.075 (5) | 0.005 (4) | −0.007 (4) | −0.013 (4) |
N2B | 0.028 (2) | 0.044 (3) | 0.043 (3) | 0.0034 (19) | 0.0096 (18) | −0.003 (2) |
N2A | 0.026 (2) | 0.049 (3) | 0.044 (3) | 0.004 (2) | 0.0108 (19) | 0.000 (2) |
N1A | 0.064 (5) | 0.031 (4) | 0.079 (5) | 0.016 (4) | −0.016 (4) | −0.020 (4) |
N4A | 0.048 (3) | 0.041 (3) | 0.021 (2) | −0.002 (2) | 0.0058 (18) | −0.0018 (18) |
N4B | 0.049 (3) | 0.036 (3) | 0.025 (2) | 0.001 (2) | 0.0092 (19) | 0.0042 (18) |
C11B—C12B | 1.484 (15) | C15A—H15C | 0.9700 |
C11B—N1B | 1.506 (12) | C15A—H15D | 0.9700 |
C11B—H11F | 0.9700 | C16A—H16C | 0.9600 |
C11B—H11G | 0.9700 | C16A—H16E | 0.9600 |
C12B—H12F | 0.9600 | C16A—H16D | 0.9600 |
C12B—H12H | 0.9600 | C11A—C12A | 1.479 (17) |
C12B—H12G | 0.9600 | C11A—N1A | 1.534 (14) |
C17B—N1B | 1.494 (12) | C11A—H11C | 0.9700 |
C17B—C18B | 1.518 (16) | C11A—H11D | 0.9700 |
C17B—H17G | 0.9700 | C12A—H12C | 0.9600 |
C17B—H17F | 0.9700 | C12A—H12E | 0.9600 |
C18B—H18H | 0.9600 | C12A—H12D | 0.9600 |
C18B—H18F | 0.9600 | C13A—N1A | 1.505 (13) |
C18B—H18G | 0.9600 | C13A—C14A | 1.527 (15) |
C13B—C14B | 1.506 (13) | C13A—H13D | 0.9700 |
C13B—N1B | 1.512 (11) | C13A—H13C | 0.9700 |
C13B—H13G | 0.9700 | C14A—H14E | 0.9600 |
C13B—H13F | 0.9700 | C14A—H14C | 0.9600 |
C14B—H14H | 0.9600 | C14A—H14D | 0.9600 |
C14B—H14F | 0.9600 | C17A—N1A | 1.485 (14) |
C14B—H14G | 0.9600 | C17A—C18A | 1.513 (19) |
C15B—C16B | 1.494 (13) | C17A—H17D | 0.9700 |
C15B—N1B | 1.506 (11) | C17A—H17C | 0.9700 |
C15B—H15F | 0.9700 | C18A—H18E | 0.9600 |
C15B—H15G | 0.9700 | C18A—H18C | 0.9600 |
C16B—H16F | 0.9600 | C18A—H18D | 0.9600 |
C16B—H16H | 0.9600 | C24B—H24F | 0.9600 |
C16B—H16G | 0.9600 | C24B—H24H | 0.9600 |
C37A—C38A | 1.508 (12) | C24B—H24G | 0.9600 |
C37A—N3A | 1.518 (10) | C24A—H24C | 0.9600 |
C37A—H37C | 0.9700 | C24A—H24D | 0.9600 |
C37A—H37D | 0.9700 | C24A—H24E | 0.9600 |
C38A—H38C | 0.9600 | O63A—Mo7A | 1.944 (5) |
C38A—H38D | 0.9600 | O63A—Mo1A | 2.010 (4) |
C38A—H38E | 0.9600 | O63A—Mo6A | 2.310 (4) |
C33A—C34A | 1.489 (14) | O63B—Mo7B | 1.943 (5) |
C33A—N3A | 1.519 (12) | O63B—Mo1B | 2.005 (5) |
C33A—H33C | 0.9700 | O63B—Mo6B | 2.320 (4) |
C33A—H33D | 0.9700 | O33A—Mo8A | 1.946 (5) |
C34A—H34E | 0.9600 | O33A—Mo4A | 2.010 (5) |
C34A—H34D | 0.9600 | O33A—Mo3A | 2.336 (5) |
C34A—H34C | 0.9600 | O84B—Mo8B | 1.749 (5) |
C31A—C32A | 1.522 (13) | O84B—Mo2B | 2.246 (4) |
C31A—N3A | 1.529 (11) | O33B—Mo8B | 1.952 (5) |
C31A—H31C | 0.9700 | O33B—Mo4B | 2.005 (5) |
C31A—H31D | 0.9700 | O33B—Mo3B | 2.334 (5) |
C32A—H32C | 0.9600 | O82A—Mo8A | 2.130 (5) |
C32A—H32D | 0.9600 | O82A—Mo4A | 2.326 (5) |
C32A—H32E | 0.9600 | O82A—Mo6A | 2.349 (5) |
C35A—N3A | 1.515 (11) | O82A—Mo7A | 2.353 (5) |
C35A—C36A | 1.528 (14) | O82A—Mo5A | 2.478 (5) |
C35A—H35C | 0.9700 | O83A—Mo8A | 1.951 (5) |
C35A—H35D | 0.9700 | O83A—Mo6A | 2.011 (5) |
C36A—H36D | 0.9600 | O83A—Mo1A | 2.309 (4) |
C36A—H36E | 0.9600 | O83B—Mo8B | 1.958 (5) |
C36A—H36C | 0.9600 | O83B—Mo6B | 1.995 (5) |
C31B—C32B | 1.489 (14) | O83B—Mo1B | 2.340 (4) |
C31B—N3B | 1.550 (13) | O72A—Mo7A | 2.142 (5) |
C31B—H31F | 0.9700 | O72A—Mo1A | 2.312 (5) |
C31B—H31G | 0.9700 | O72A—Mo3A | 2.350 (5) |
C32B—H32F | 0.9600 | O72A—Mo8A | 2.363 (4) |
C32B—H32G | 0.9600 | O72A—Mo2A | 2.478 (5) |
C32B—H32H | 0.9600 | O82B—Mo8B | 2.108 (5) |
C36B—C35B | 1.470 (15) | O82B—Mo4B | 2.338 (5) |
C36B—H36G | 0.9600 | O82B—Mo7B | 2.347 (5) |
C36B—H36H | 0.9600 | O82B—Mo6B | 2.385 (5) |
C36B—H36F | 0.9600 | O82B—Mo5B | 2.454 (5) |
C35B—N3B | 1.514 (13) | O21A—Mo2A | 1.719 (5) |
C35B—H35F | 0.9700 | O74B—Mo7B | 1.759 (5) |
C35B—H35G | 0.9700 | O74B—Mo5B | 2.240 (4) |
C33B—C34B | 1.474 (16) | O22A—Mo2A | 1.692 (5) |
C33B—N3B | 1.506 (14) | O42B—Mo4B | 1.702 (5) |
C33B—H33F | 0.9700 | O73A—Mo7A | 1.944 (5) |
C33B—H33G | 0.9700 | O73A—Mo3A | 2.004 (5) |
C34B—H34H | 0.9600 | O73A—Mo4A | 2.314 (4) |
C34B—H34G | 0.9600 | O72B—Mo7B | 2.125 (5) |
C34B—H34F | 0.9600 | O72B—Mo1B | 2.338 (5) |
C38B—C37B | 1.520 (14) | O72B—Mo8B | 2.359 (4) |
C38B—H38F | 0.9600 | O72B—Mo3B | 2.384 (5) |
C38B—H38G | 0.9600 | O72B—Mo2B | 2.426 (5) |
C38B—H38H | 0.9600 | O51A—Mo5A | 1.704 (5) |
C37B—N3B | 1.502 (11) | O73B—Mo7B | 1.953 (5) |
C37B—H37G | 0.9700 | O73B—Mo3B | 2.003 (5) |
C37B—H37F | 0.9700 | O73B—Mo4B | 2.325 (4) |
C26B—C25B | 1.492 (12) | O32B—Mo3B | 1.697 (5) |
C26B—H26H | 0.9600 | O41A—Mo4A | 1.691 (5) |
C26B—H26F | 0.9600 | O31B—Mo3B | 1.688 (5) |
C26B—H26G | 0.9600 | O52A—Mo5A | 1.700 (5) |
C25B—N2B | 1.544 (10) | O84A—Mo8A | 1.746 (5) |
C25B—H25G | 0.9700 | O84A—Mo2A | 2.239 (4) |
C25B—H25F | 0.9700 | O13A—Mo1A | 1.894 (5) |
C27B—N2B | 1.498 (10) | O13A—Mo2A | 1.919 (5) |
C27B—C28B | 1.522 (12) | O22B—Mo2B | 1.697 (5) |
C27B—H27F | 0.9700 | O43A—Mo4A | 1.892 (5) |
C27B—H27G | 0.9700 | O43A—Mo5A | 1.929 (5) |
C28B—H28G | 0.9600 | O23A—Mo3A | 1.901 (5) |
C28B—H28F | 0.9600 | O23A—Mo2A | 1.915 (5) |
C28B—H28H | 0.9600 | O62B—Mo6B | 1.713 (5) |
C21B—N2B | 1.498 (10) | O42A—Mo4A | 1.704 (5) |
C21B—C22B | 1.505 (13) | O81B—Mo8B | 1.692 (5) |
C21B—H21F | 0.9700 | O11A—Mo1A | 1.697 (5) |
C21B—H21G | 0.9700 | O61A—Mo6A | 1.699 (5) |
C22B—H22G | 0.9600 | O62A—Mo6A | 1.712 (5) |
C22B—H22H | 0.9600 | O12B—Mo1B | 1.718 (5) |
C22B—H22F | 0.9600 | O52B—Mo5B | 1.691 (5) |
C23B—C24B | 1.513 (13) | O41B—Mo4B | 1.686 (5) |
C23B—N2B | 1.521 (11) | O71A—Mo7A | 1.700 (5) |
C23B—H23F | 0.9700 | O71B—Mo7B | 1.697 (5) |
C23B—H23G | 0.9700 | O32A—Mo3A | 1.698 (5) |
C25A—N2A | 1.524 (10) | O51B—Mo5B | 1.705 (5) |
C25A—C26A | 1.529 (13) | O53A—Mo6A | 1.887 (5) |
C25A—H25D | 0.9700 | O53A—Mo5A | 1.918 (5) |
C25A—H25C | 0.9700 | O74A—Mo7A | 1.741 (5) |
C26A—H26E | 0.9600 | O74A—Mo5A | 2.274 (4) |
C26A—H26D | 0.9600 | O23B—Mo3B | 1.896 (5) |
C26A—H26C | 0.9600 | O23B—Mo2B | 1.907 (5) |
C27A—N2A | 1.483 (10) | O12A—Mo1A | 1.713 (5) |
C27A—C28A | 1.527 (12) | O53B—Mo6B | 1.891 (5) |
C27A—H27D | 0.9700 | O53B—Mo5B | 1.922 (5) |
C27A—H27C | 0.9700 | O61B—Mo6B | 1.691 (5) |
C28A—H28D | 0.9600 | O81A—Mo8A | 1.690 (5) |
C28A—H28E | 0.9600 | O31A—Mo3A | 1.691 (5) |
C28A—H28C | 0.9600 | O11B—Mo1B | 1.707 (5) |
C21A—C22A | 1.484 (13) | O21B—Mo2B | 1.716 (5) |
C21A—N2A | 1.512 (11) | O13B—Mo1B | 1.877 (5) |
C21A—H21C | 0.9700 | O13B—Mo2B | 1.937 (5) |
C21A—H21D | 0.9700 | O43B—Mo4B | 1.882 (5) |
C22A—H22D | 0.9600 | O43B—Mo5B | 1.939 (5) |
C22A—H22C | 0.9600 | N4A—H1N | 0.82 |
C22A—H22E | 0.9600 | N4A—H2N | 0.96 |
C23A—N2A | 1.514 (10) | N4A—H3N | 0.73 |
C23A—C24A | 1.539 (13) | N4A—H4N | 0.96 |
C23A—H23C | 0.9700 | N4B—H5N | 0.85 |
C23A—H23D | 0.9700 | N4B—H6N | 0.95 |
C15A—C16A | 1.488 (15) | N4B—H7N | 0.97 |
C15A—N1A | 1.492 (13) | N4B—H8N | 0.96 |
C12B—C11B—N1B | 116.2 (8) | Mo8A—O72A—Mo2A | 90.99 (16) |
C12B—C11B—H11F | 108.2 | Mo8B—O82B—Mo4B | 92.95 (19) |
N1B—C11B—H11F | 108.2 | Mo8B—O82B—Mo7B | 104.55 (18) |
C12B—C11B—H11G | 108.2 | Mo4B—O82B—Mo7B | 97.53 (19) |
N1B—C11B—H11G | 108.2 | Mo8B—O82B—Mo6B | 92.2 (2) |
H11F—C11B—H11G | 107.4 | Mo4B—O82B—Mo6B | 163.2 (2) |
C11B—C12B—H12F | 109.5 | Mo7B—O82B—Mo6B | 96.67 (18) |
C11B—C12B—H12H | 109.5 | Mo8B—O82B—Mo5B | 164.2 (2) |
H12F—C12B—H12H | 109.5 | Mo4B—O82B—Mo5B | 85.87 (17) |
C11B—C12B—H12G | 109.5 | Mo7B—O82B—Mo5B | 91.23 (17) |
H12F—C12B—H12G | 109.5 | Mo6B—O82B—Mo5B | 84.84 (15) |
H12H—C12B—H12G | 109.5 | Mo7B—O74B—Mo5B | 117.8 (2) |
N1B—C17B—C18B | 117.4 (8) | Mo7A—O73A—Mo3A | 110.3 (2) |
N1B—C17B—H17G | 108.0 | Mo7A—O73A—Mo4A | 110.8 (2) |
C18B—C17B—H17G | 108.0 | Mo3A—O73A—Mo4A | 104.0 (2) |
N1B—C17B—H17F | 108.0 | Mo7B—O72B—Mo1B | 92.30 (18) |
C18B—C17B—H17F | 108.0 | Mo7B—O72B—Mo8B | 103.61 (17) |
H17G—C17B—H17F | 107.2 | Mo1B—O72B—Mo8B | 97.42 (18) |
C17B—C18B—H18H | 109.5 | Mo7B—O72B—Mo3B | 91.93 (19) |
C17B—C18B—H18F | 109.5 | Mo1B—O72B—Mo3B | 164.1 (2) |
H18H—C18B—H18F | 109.5 | Mo8B—O72B—Mo3B | 96.50 (17) |
C17B—C18B—H18G | 109.5 | Mo7B—O72B—Mo2B | 164.5 (2) |
H18H—C18B—H18G | 109.5 | Mo1B—O72B—Mo2B | 86.48 (17) |
H18F—C18B—H18G | 109.5 | Mo8B—O72B—Mo2B | 91.86 (16) |
C14B—C13B—N1B | 116.7 (9) | Mo3B—O72B—Mo2B | 85.35 (15) |
C14B—C13B—H13G | 108.1 | Mo7B—O73B—Mo3B | 110.3 (2) |
N1B—C13B—H13G | 108.1 | Mo7B—O73B—Mo4B | 110.6 (2) |
C14B—C13B—H13F | 108.1 | Mo3B—O73B—Mo4B | 103.31 (19) |
N1B—C13B—H13F | 108.1 | Mo8A—O84A—Mo2A | 119.6 (2) |
H13G—C13B—H13F | 107.3 | Mo1A—O13A—Mo2A | 118.4 (3) |
C13B—C14B—H14H | 109.5 | Mo4A—O43A—Mo5A | 117.6 (3) |
C13B—C14B—H14F | 109.5 | Mo3A—O23A—Mo2A | 117.5 (3) |
H14H—C14B—H14F | 109.5 | Mo6A—O53A—Mo5A | 117.8 (2) |
C13B—C14B—H14G | 109.5 | Mo7A—O74A—Mo5A | 118.3 (2) |
H14H—C14B—H14G | 109.5 | Mo3B—O23B—Mo2B | 118.0 (3) |
H14F—C14B—H14G | 109.5 | Mo6B—O53B—Mo5B | 117.8 (3) |
C16B—C15B—N1B | 118.1 (8) | Mo1B—O13B—Mo2B | 117.7 (3) |
C16B—C15B—H15F | 107.8 | Mo4B—O43B—Mo5B | 117.4 (3) |
N1B—C15B—H15F | 107.8 | O81B—Mo8B—O84B | 104.9 (2) |
C16B—C15B—H15G | 107.8 | O81B—Mo8B—O33B | 101.1 (2) |
N1B—C15B—H15G | 107.8 | O84B—Mo8B—O33B | 96.0 (2) |
H15F—C15B—H15G | 107.1 | O81B—Mo8B—O83B | 100.7 (2) |
C15B—C16B—H16F | 109.5 | O84B—Mo8B—O83B | 96.4 (2) |
C15B—C16B—H16H | 109.5 | O33B—Mo8B—O83B | 151.2 (2) |
H16F—C16B—H16H | 109.5 | O81B—Mo8B—O82B | 99.2 (2) |
C15B—C16B—H16G | 109.5 | O84B—Mo8B—O82B | 155.90 (19) |
H16F—C16B—H16G | 109.5 | O33B—Mo8B—O82B | 78.9 (2) |
H16H—C16B—H16G | 109.5 | O83B—Mo8B—O82B | 79.2 (2) |
C38A—C37A—N3A | 115.5 (7) | O81B—Mo8B—O72B | 175.1 (2) |
C38A—C37A—H37C | 108.4 | O84B—Mo8B—O72B | 79.96 (19) |
N3A—C37A—H37C | 108.4 | O33B—Mo8B—O72B | 78.62 (19) |
C38A—C37A—H37D | 108.4 | O83B—Mo8B—O72B | 78.13 (18) |
N3A—C37A—H37D | 108.4 | O82B—Mo8B—O72B | 75.94 (17) |
H37C—C37A—H37D | 107.5 | O61B—Mo6B—O62B | 104.9 (3) |
C37A—C38A—H38C | 109.5 | O61B—Mo6B—O53B | 102.8 (2) |
C37A—C38A—H38D | 109.5 | O62B—Mo6B—O53B | 100.6 (3) |
H38C—C38A—H38D | 109.5 | O61B—Mo6B—O83B | 101.2 (2) |
C37A—C38A—H38E | 109.5 | O62B—Mo6B—O83B | 96.8 (2) |
H38C—C38A—H38E | 109.5 | O53B—Mo6B—O83B | 145.5 (2) |
H38D—C38A—H38E | 109.5 | O61B—Mo6B—O63B | 90.6 (2) |
C34A—C33A—N3A | 115.5 (8) | O62B—Mo6B—O63B | 162.4 (2) |
C34A—C33A—H33C | 108.4 | O53B—Mo6B—O63B | 83.6 (2) |
N3A—C33A—H33C | 108.4 | O83B—Mo6B—O63B | 71.70 (18) |
C34A—C33A—H33D | 108.4 | O61B—Mo6B—O82B | 161.2 (2) |
N3A—C33A—H33D | 108.4 | O62B—Mo6B—O82B | 93.4 (2) |
H33C—C33A—H33D | 107.5 | O53B—Mo6B—O82B | 77.33 (19) |
C33A—C34A—H34E | 109.5 | O83B—Mo6B—O82B | 72.02 (19) |
C33A—C34A—H34D | 109.5 | O63B—Mo6B—O82B | 70.63 (16) |
H34E—C34A—H34D | 109.5 | O81A—Mo8A—O84A | 104.8 (2) |
C33A—C34A—H34C | 109.5 | O81A—Mo8A—O33A | 101.1 (2) |
H34E—C34A—H34C | 109.5 | O84A—Mo8A—O33A | 96.5 (2) |
H34D—C34A—H34C | 109.5 | O81A—Mo8A—O83A | 101.3 (2) |
C32A—C31A—N3A | 114.1 (8) | O84A—Mo8A—O83A | 96.2 (2) |
C32A—C31A—H31C | 108.7 | O33A—Mo8A—O83A | 150.4 (2) |
N3A—C31A—H31C | 108.7 | O81A—Mo8A—O82A | 99.6 (2) |
C32A—C31A—H31D | 108.7 | O84A—Mo8A—O82A | 155.6 (2) |
N3A—C31A—H31D | 108.7 | O33A—Mo8A—O82A | 78.7 (2) |
H31C—C31A—H31D | 107.6 | O83A—Mo8A—O82A | 78.7 (2) |
C31A—C32A—H32C | 109.5 | O81A—Mo8A—O72A | 175.1 (2) |
C31A—C32A—H32D | 109.5 | O84A—Mo8A—O72A | 80.1 (2) |
H32C—C32A—H32D | 109.5 | O33A—Mo8A—O72A | 78.68 (19) |
C31A—C32A—H32E | 109.5 | O83A—Mo8A—O72A | 77.38 (18) |
H32C—C32A—H32E | 109.5 | O82A—Mo8A—O72A | 75.50 (17) |
H32D—C32A—H32E | 109.5 | O71A—Mo7A—O74A | 103.9 (2) |
N3A—C35A—C36A | 115.2 (8) | O71A—Mo7A—O63A | 101.5 (2) |
N3A—C35A—H35C | 108.5 | O74A—Mo7A—O63A | 96.8 (2) |
C36A—C35A—H35C | 108.5 | O71A—Mo7A—O73A | 101.5 (2) |
N3A—C35A—H35D | 108.5 | O74A—Mo7A—O73A | 96.7 (2) |
C36A—C35A—H35D | 108.5 | O63A—Mo7A—O73A | 149.6 (2) |
H35C—C35A—H35D | 107.5 | O71A—Mo7A—O72A | 99.4 (2) |
C35A—C36A—H36D | 109.5 | O74A—Mo7A—O72A | 156.68 (18) |
C35A—C36A—H36E | 109.5 | O63A—Mo7A—O72A | 78.36 (19) |
H36D—C36A—H36E | 109.5 | O73A—Mo7A—O72A | 78.47 (19) |
C35A—C36A—H36C | 109.5 | O71A—Mo7A—O82A | 174.9 (2) |
H36D—C36A—H36C | 109.5 | O74A—Mo7A—O82A | 81.16 (19) |
H36E—C36A—H36C | 109.5 | O63A—Mo7A—O82A | 77.95 (19) |
C32B—C31B—N3B | 115.2 (10) | O73A—Mo7A—O82A | 77.35 (19) |
C32B—C31B—H31F | 108.5 | O72A—Mo7A—O82A | 75.52 (16) |
N3B—C31B—H31F | 108.5 | O71B—Mo7B—O74B | 103.5 (2) |
C32B—C31B—H31G | 108.5 | O71B—Mo7B—O63B | 102.2 (2) |
N3B—C31B—H31G | 108.5 | O74B—Mo7B—O63B | 96.2 (2) |
H31F—C31B—H31G | 107.5 | O71B—Mo7B—O73B | 100.7 (2) |
C31B—C32B—H32F | 109.5 | O74B—Mo7B—O73B | 96.2 (2) |
C31B—C32B—H32G | 109.5 | O63B—Mo7B—O73B | 150.6 (2) |
H32F—C32B—H32G | 109.5 | O71B—Mo7B—O72B | 99.7 (2) |
C31B—C32B—H32H | 109.5 | O74B—Mo7B—O72B | 156.80 (18) |
H32F—C32B—H32H | 109.5 | O63B—Mo7B—O72B | 78.9 (2) |
H32G—C32B—H32H | 109.5 | O73B—Mo7B—O72B | 79.3 (2) |
C35B—C36B—H36G | 109.5 | O71B—Mo7B—O82B | 175.5 (2) |
C35B—C36B—H36H | 109.5 | O74B—Mo7B—O82B | 80.90 (19) |
H36G—C36B—H36H | 109.5 | O63B—Mo7B—O82B | 78.08 (19) |
C35B—C36B—H36F | 109.5 | O73B—Mo7B—O82B | 77.73 (19) |
H36G—C36B—H36F | 109.5 | O72B—Mo7B—O82B | 75.89 (16) |
H36H—C36B—H36F | 109.5 | O52B—Mo5B—O51B | 104.8 (3) |
C36B—C35B—N3B | 118.3 (10) | O52B—Mo5B—O53B | 104.0 (2) |
C36B—C35B—H35F | 107.7 | O51B—Mo5B—O53B | 97.6 (3) |
N3B—C35B—H35F | 107.7 | O52B—Mo5B—O43B | 101.5 (2) |
C36B—C35B—H35G | 107.7 | O51B—Mo5B—O43B | 97.2 (2) |
N3B—C35B—H35G | 107.7 | O53B—Mo5B—O43B | 145.9 (2) |
H35F—C35B—H35G | 107.1 | O52B—Mo5B—O74B | 92.9 (2) |
C34B—C33B—N3B | 115.5 (10) | O51B—Mo5B—O74B | 162.2 (2) |
C34B—C33B—H33F | 108.4 | O53B—Mo5B—O74B | 78.6 (2) |
N3B—C33B—H33F | 108.4 | O43B—Mo5B—O74B | 77.98 (19) |
C34B—C33B—H33G | 108.4 | O52B—Mo5B—O82B | 162.9 (2) |
N3B—C33B—H33G | 108.4 | O51B—Mo5B—O82B | 92.1 (2) |
H33F—C33B—H33G | 107.5 | O53B—Mo5B—O82B | 75.04 (19) |
C33B—C34B—H34H | 109.5 | O43B—Mo5B—O82B | 73.9 (2) |
C33B—C34B—H34G | 109.5 | O74B—Mo5B—O82B | 70.10 (17) |
H34H—C34B—H34G | 109.5 | O31A—Mo3A—O32A | 104.3 (3) |
C33B—C34B—H34F | 109.5 | O31A—Mo3A—O23A | 102.5 (2) |
H34H—C34B—H34F | 109.5 | O32A—Mo3A—O23A | 100.7 (2) |
H34G—C34B—H34F | 109.5 | O31A—Mo3A—O73A | 100.6 (2) |
C37B—C38B—H38F | 109.5 | O32A—Mo3A—O73A | 97.3 (2) |
C37B—C38B—H38G | 109.5 | O23A—Mo3A—O73A | 145.9 (2) |
H38F—C38B—H38G | 109.5 | O31A—Mo3A—O33A | 90.2 (2) |
C37B—C38B—H38H | 109.5 | O32A—Mo3A—O33A | 163.3 (2) |
H38F—C38B—H38H | 109.5 | O23A—Mo3A—O33A | 83.7 (2) |
H38G—C38B—H38H | 109.5 | O73A—Mo3A—O33A | 71.56 (18) |
N3B—C37B—C38B | 115.6 (9) | O31A—Mo3A—O72A | 162.0 (2) |
N3B—C37B—H37G | 108.4 | O32A—Mo3A—O72A | 93.2 (2) |
C38B—C37B—H37G | 108.4 | O23A—Mo3A—O72A | 77.9 (2) |
N3B—C37B—H37F | 108.4 | O73A—Mo3A—O72A | 72.48 (19) |
C38B—C37B—H37F | 108.4 | O33A—Mo3A—O72A | 71.89 (15) |
H37G—C37B—H37F | 107.4 | O31B—Mo3B—O32B | 104.8 (3) |
C25B—C26B—H26H | 109.5 | O31B—Mo3B—O23B | 103.6 (2) |
C25B—C26B—H26F | 109.5 | O32B—Mo3B—O23B | 100.6 (2) |
H26H—C26B—H26F | 109.5 | O31B—Mo3B—O73B | 101.1 (2) |
C25B—C26B—H26G | 109.5 | O32B—Mo3B—O73B | 96.8 (2) |
H26H—C26B—H26G | 109.5 | O23B—Mo3B—O73B | 144.9 (2) |
H26F—C26B—H26G | 109.5 | O31B—Mo3B—O33B | 89.9 (2) |
C26B—C25B—N2B | 116.5 (7) | O32B—Mo3B—O33B | 163.0 (2) |
C26B—C25B—H25G | 108.2 | O23B—Mo3B—O33B | 83.64 (19) |
N2B—C25B—H25G | 108.2 | O73B—Mo3B—O33B | 71.68 (17) |
C26B—C25B—H25F | 108.2 | O31B—Mo3B—O72B | 161.2 (2) |
N2B—C25B—H25F | 108.2 | O32B—Mo3B—O72B | 93.6 (2) |
H25G—C25B—H25F | 107.3 | O23B—Mo3B—O72B | 76.43 (19) |
N2B—C27B—C28B | 115.2 (7) | O73B—Mo3B—O72B | 72.24 (18) |
N2B—C27B—H27F | 108.5 | O33B—Mo3B—O72B | 71.28 (16) |
C28B—C27B—H27F | 108.5 | O22A—Mo2A—O21A | 104.5 (3) |
N2B—C27B—H27G | 108.5 | O22A—Mo2A—O23A | 103.8 (2) |
C28B—C27B—H27G | 108.5 | O21A—Mo2A—O23A | 97.7 (2) |
H27F—C27B—H27G | 107.5 | O22A—Mo2A—O13A | 102.7 (2) |
C27B—C28B—H28G | 109.5 | O21A—Mo2A—O13A | 97.6 (2) |
C27B—C28B—H28F | 109.5 | O23A—Mo2A—O13A | 144.8 (2) |
H28G—C28B—H28F | 109.5 | O22A—Mo2A—O84A | 93.3 (2) |
C27B—C28B—H28H | 109.5 | O21A—Mo2A—O84A | 162.3 (2) |
H28G—C28B—H28H | 109.5 | O23A—Mo2A—O84A | 77.75 (19) |
H28F—C28B—H28H | 109.5 | O13A—Mo2A—O84A | 78.04 (18) |
N2B—C21B—C22B | 113.5 (7) | O22A—Mo2A—O72A | 162.5 (2) |
N2B—C21B—H21F | 108.9 | O21A—Mo2A—O72A | 93.0 (2) |
C22B—C21B—H21F | 108.9 | O23A—Mo2A—O72A | 74.42 (19) |
N2B—C21B—H21G | 108.9 | O13A—Mo2A—O72A | 73.28 (19) |
C22B—C21B—H21G | 108.9 | O84A—Mo2A—O72A | 69.23 (16) |
H21F—C21B—H21G | 107.7 | O22B—Mo2B—O21B | 104.4 (3) |
C21B—C22B—H22G | 109.5 | O22B—Mo2B—O23B | 104.5 (2) |
C21B—C22B—H22H | 109.5 | O21B—Mo2B—O23B | 97.4 (2) |
H22G—C22B—H22H | 109.5 | O22B—Mo2B—O13B | 101.1 (2) |
C21B—C22B—H22F | 109.5 | O21B—Mo2B—O13B | 97.3 (2) |
H22G—C22B—H22F | 109.5 | O23B—Mo2B—O13B | 146.1 (2) |
H22H—C22B—H22F | 109.5 | O22B—Mo2B—O84B | 93.8 (2) |
C24B—C23B—N2B | 115.6 (7) | O21B—Mo2B—O84B | 161.8 (2) |
C24B—C23B—H23F | 108.4 | O23B—Mo2B—O84B | 78.25 (19) |
N2B—C23B—H23F | 108.4 | O13B—Mo2B—O84B | 78.25 (19) |
C24B—C23B—H23G | 108.4 | O22B—Mo2B—O72B | 163.6 (2) |
N2B—C23B—H23G | 108.4 | O21B—Mo2B—O72B | 91.9 (2) |
H23F—C23B—H23G | 107.4 | O23B—Mo2B—O72B | 75.19 (19) |
N2A—C25A—C26A | 113.0 (7) | O13B—Mo2B—O72B | 73.91 (19) |
N2A—C25A—H25D | 109.0 | O84B—Mo2B—O72B | 69.90 (17) |
C26A—C25A—H25D | 109.0 | O61A—Mo6A—O62A | 104.8 (3) |
N2A—C25A—H25C | 109.0 | O61A—Mo6A—O53A | 102.6 (2) |
C26A—C25A—H25C | 109.0 | O62A—Mo6A—O53A | 101.3 (2) |
H25D—C25A—H25C | 107.8 | O61A—Mo6A—O83A | 100.5 (2) |
C25A—C26A—H26E | 109.5 | O62A—Mo6A—O83A | 95.9 (2) |
C25A—C26A—H26D | 109.5 | O53A—Mo6A—O83A | 146.5 (2) |
H26E—C26A—H26D | 109.5 | O61A—Mo6A—O63A | 89.9 (2) |
C25A—C26A—H26C | 109.5 | O62A—Mo6A—O63A | 162.5 (2) |
H26E—C26A—H26C | 109.5 | O53A—Mo6A—O63A | 84.21 (19) |
H26D—C26A—H26C | 109.5 | O83A—Mo6A—O63A | 71.80 (17) |
N2A—C27A—C28A | 113.9 (7) | O61A—Mo6A—O82A | 161.3 (2) |
N2A—C27A—H27D | 108.8 | O62A—Mo6A—O82A | 93.3 (2) |
C28A—C27A—H27D | 108.8 | O53A—Mo6A—O82A | 77.9 (2) |
N2A—C27A—H27C | 108.8 | O83A—Mo6A—O82A | 72.50 (19) |
C28A—C27A—H27C | 108.8 | O63A—Mo6A—O82A | 71.48 (16) |
H27D—C27A—H27C | 107.7 | O41A—Mo4A—O42A | 105.2 (3) |
C27A—C28A—H28D | 109.5 | O41A—Mo4A—O43A | 101.5 (2) |
C27A—C28A—H28E | 109.5 | O42A—Mo4A—O43A | 100.9 (2) |
H28D—C28A—H28E | 109.5 | O41A—Mo4A—O33A | 100.8 (2) |
C27A—C28A—H28C | 109.5 | O42A—Mo4A—O33A | 95.7 (2) |
H28D—C28A—H28C | 109.5 | O43A—Mo4A—O33A | 147.6 (2) |
H28E—C28A—H28C | 109.5 | O41A—Mo4A—O73A | 89.0 (2) |
C22A—C21A—N2A | 115.3 (7) | O42A—Mo4A—O73A | 162.9 (2) |
C22A—C21A—H21C | 108.5 | O43A—Mo4A—O73A | 85.17 (18) |
N2A—C21A—H21C | 108.5 | O33A—Mo4A—O73A | 71.93 (18) |
C22A—C21A—H21D | 108.5 | O41A—Mo4A—O82A | 160.3 (2) |
N2A—C21A—H21D | 108.5 | O42A—Mo4A—O82A | 94.1 (2) |
H21C—C21A—H21D | 107.5 | O43A—Mo4A—O82A | 78.2 (2) |
C21A—C22A—H22D | 109.5 | O33A—Mo4A—O82A | 72.90 (19) |
C21A—C22A—H22C | 109.5 | O73A—Mo4A—O82A | 71.28 (17) |
H22D—C22A—H22C | 109.5 | O52A—Mo5A—O51A | 103.6 (3) |
C21A—C22A—H22E | 109.5 | O52A—Mo5A—O53A | 104.0 (2) |
H22D—C22A—H22E | 109.5 | O51A—Mo5A—O53A | 98.3 (3) |
H22C—C22A—H22E | 109.5 | O52A—Mo5A—O43A | 102.3 (3) |
N2A—C23A—C24A | 116.1 (7) | O51A—Mo5A—O43A | 97.8 (2) |
N2A—C23A—H23C | 108.3 | O53A—Mo5A—O43A | 144.8 (2) |
C24A—C23A—H23C | 108.3 | O52A—Mo5A—O74A | 93.7 (2) |
N2A—C23A—H23D | 108.3 | O51A—Mo5A—O74A | 162.7 (2) |
C24A—C23A—H23D | 108.3 | O53A—Mo5A—O74A | 77.6 (2) |
H23C—C23A—H23D | 107.4 | O43A—Mo5A—O74A | 77.75 (19) |
C16A—C15A—N1A | 117.9 (9) | O52A—Mo5A—O82A | 162.9 (2) |
C16A—C15A—H15C | 107.8 | O51A—Mo5A—O82A | 93.5 (2) |
N1A—C15A—H15C | 107.8 | O53A—Mo5A—O82A | 74.16 (19) |
C16A—C15A—H15D | 107.8 | O43A—Mo5A—O82A | 73.80 (19) |
N1A—C15A—H15D | 107.8 | O74A—Mo5A—O82A | 69.19 (17) |
H15C—C15A—H15D | 107.2 | O41B—Mo4B—O42B | 105.0 (3) |
C15A—C16A—H16C | 109.5 | O41B—Mo4B—O43B | 101.6 (2) |
C15A—C16A—H16E | 109.5 | O42B—Mo4B—O43B | 101.9 (2) |
H16C—C16A—H16E | 109.5 | O41B—Mo4B—O33B | 100.9 (2) |
C15A—C16A—H16D | 109.5 | O42B—Mo4B—O33B | 96.2 (2) |
H16C—C16A—H16D | 109.5 | O43B—Mo4B—O33B | 146.3 (2) |
H16E—C16A—H16D | 109.5 | O41B—Mo4B—O73B | 88.6 (2) |
C12A—C11A—N1A | 116.7 (9) | O42B—Mo4B—O73B | 163.6 (2) |
C12A—C11A—H11C | 108.1 | O43B—Mo4B—O73B | 83.92 (18) |
N1A—C11A—H11C | 108.1 | O33B—Mo4B—O73B | 71.83 (18) |
C12A—C11A—H11D | 108.1 | O41B—Mo4B—O82B | 159.8 (2) |
N1A—C11A—H11D | 108.1 | O42B—Mo4B—O82B | 94.8 (2) |
H11C—C11A—H11D | 107.3 | O43B—Mo4B—O82B | 77.8 (2) |
C11A—C12A—H12C | 109.5 | O33B—Mo4B—O82B | 72.50 (19) |
C11A—C12A—H12E | 109.5 | O73B—Mo4B—O82B | 71.24 (17) |
H12C—C12A—H12E | 109.5 | O11A—Mo1A—O12A | 104.1 (3) |
C11A—C12A—H12D | 109.5 | O11A—Mo1A—O13A | 101.9 (2) |
H12C—C12A—H12D | 109.5 | O12A—Mo1A—O13A | 100.9 (2) |
H12E—C12A—H12D | 109.5 | O11A—Mo1A—O63A | 100.7 (2) |
N1A—C13A—C14A | 116.4 (10) | O12A—Mo1A—O63A | 96.3 (2) |
N1A—C13A—H13D | 108.2 | O13A—Mo1A—O63A | 147.19 (19) |
C14A—C13A—H13D | 108.2 | O11A—Mo1A—O83A | 88.9 (2) |
N1A—C13A—H13C | 108.2 | O12A—Mo1A—O83A | 164.0 (2) |
C14A—C13A—H13C | 108.2 | O13A—Mo1A—O83A | 85.05 (17) |
H13D—C13A—H13C | 107.3 | O63A—Mo1A—O83A | 71.83 (18) |
C13A—C14A—H14E | 109.5 | O11A—Mo1A—O72A | 160.9 (2) |
C13A—C14A—H14C | 109.5 | O12A—Mo1A—O72A | 94.6 (2) |
H14E—C14A—H14C | 109.5 | O13A—Mo1A—O72A | 77.85 (19) |
C13A—C14A—H14D | 109.5 | O63A—Mo1A—O72A | 73.11 (18) |
H14E—C14A—H14D | 109.5 | O83A—Mo1A—O72A | 72.01 (16) |
H14C—C14A—H14D | 109.5 | O11B—Mo1B—O12B | 104.1 (3) |
N1A—C17A—C18A | 115.2 (12) | O11B—Mo1B—O13B | 101.7 (2) |
N1A—C17A—H17D | 108.5 | O12B—Mo1B—O13B | 101.7 (2) |
C18A—C17A—H17D | 108.5 | O11B—Mo1B—O63B | 101.6 (2) |
N1A—C17A—H17C | 108.5 | O12B—Mo1B—O63B | 96.7 (2) |
C18A—C17A—H17C | 108.5 | O13B—Mo1B—O63B | 145.7 (2) |
H17D—C17A—H17C | 107.5 | O11B—Mo1B—O72B | 161.0 (2) |
C17A—C18A—H18E | 109.5 | O12B—Mo1B—O72B | 94.7 (2) |
C17A—C18A—H18C | 109.5 | O13B—Mo1B—O72B | 77.12 (19) |
H18E—C18A—H18C | 109.5 | O63B—Mo1B—O72B | 72.69 (18) |
C17A—C18A—H18D | 109.5 | O11B—Mo1B—O83B | 89.3 (2) |
H18E—C18A—H18D | 109.5 | O12B—Mo1B—O83B | 163.6 (2) |
H18C—C18A—H18D | 109.5 | O13B—Mo1B—O83B | 84.36 (19) |
C23B—C24B—H24F | 109.5 | O63B—Mo1B—O83B | 71.08 (19) |
C23B—C24B—H24H | 109.5 | O72B—Mo1B—O83B | 71.64 (16) |
H24F—C24B—H24H | 109.5 | C17B—N1B—C15B | 111.4 (8) |
C23B—C24B—H24G | 109.5 | C17B—N1B—C11B | 104.8 (7) |
H24F—C24B—H24G | 109.5 | C15B—N1B—C11B | 111.5 (8) |
H24H—C24B—H24G | 109.5 | C17B—N1B—C13B | 111.5 (7) |
C23A—C24A—H24C | 109.5 | C15B—N1B—C13B | 106.3 (7) |
C23A—C24A—H24D | 109.5 | C11B—N1B—C13B | 111.5 (8) |
H24C—C24A—H24D | 109.5 | C35A—N3A—C37A | 112.5 (7) |
C23A—C24A—H24E | 109.5 | C35A—N3A—C33A | 105.0 (7) |
H24C—C24A—H24E | 109.5 | C37A—N3A—C33A | 111.3 (7) |
H24D—C24A—H24E | 109.5 | C35A—N3A—C31A | 110.1 (7) |
Mo7A—O63A—Mo1A | 109.4 (2) | C37A—N3A—C31A | 106.3 (6) |
Mo7A—O63A—Mo6A | 110.9 (2) | C33A—N3A—C31A | 111.8 (8) |
Mo1A—O63A—Mo6A | 103.5 (2) | C37B—N3B—C33B | 110.7 (8) |
Mo7B—O63B—Mo1B | 109.4 (2) | C37B—N3B—C35B | 111.9 (9) |
Mo7B—O63B—Mo6B | 111.7 (2) | C33B—N3B—C35B | 106.5 (8) |
Mo1B—O63B—Mo6B | 103.7 (2) | C37B—N3B—C31B | 103.9 (7) |
Mo8A—O33A—Mo4A | 109.4 (2) | C33B—N3B—C31B | 113.4 (8) |
Mo8A—O33A—Mo3A | 110.1 (2) | C35B—N3B—C31B | 110.4 (9) |
Mo4A—O33A—Mo3A | 103.0 (2) | C21B—N2B—C27B | 113.1 (7) |
Mo8B—O84B—Mo2B | 118.3 (2) | C21B—N2B—C23B | 105.9 (6) |
Mo8B—O33B—Mo4B | 109.3 (2) | C27B—N2B—C23B | 111.8 (7) |
Mo8B—O33B—Mo3B | 111.0 (2) | C21B—N2B—C25B | 109.5 (6) |
Mo4B—O33B—Mo3B | 102.9 (2) | C27B—N2B—C25B | 106.6 (6) |
Mo8A—O82A—Mo4A | 92.75 (19) | C23B—N2B—C25B | 109.9 (7) |
Mo8A—O82A—Mo6A | 92.6 (2) | C27A—N2A—C21A | 112.8 (7) |
Mo4A—O82A—Mo6A | 163.4 (2) | C27A—N2A—C23A | 110.4 (6) |
Mo8A—O82A—Mo7A | 104.85 (18) | C21A—N2A—C23A | 105.5 (6) |
Mo4A—O82A—Mo7A | 97.27 (19) | C27A—N2A—C25A | 106.0 (6) |
Mo6A—O82A—Mo7A | 96.56 (18) | C21A—N2A—C25A | 110.9 (7) |
Mo8A—O82A—Mo5A | 163.8 (2) | C23A—N2A—C25A | 111.4 (7) |
Mo4A—O82A—Mo5A | 85.64 (17) | C17A—N1A—C15A | 111.1 (9) |
Mo6A—O82A—Mo5A | 84.87 (16) | C17A—N1A—C13A | 114.9 (9) |
Mo7A—O82A—Mo5A | 91.37 (18) | C15A—N1A—C13A | 104.8 (8) |
Mo8A—O83A—Mo6A | 109.7 (2) | C17A—N1A—C11A | 104.3 (9) |
Mo8A—O83A—Mo1A | 110.5 (2) | C15A—N1A—C11A | 111.2 (9) |
Mo6A—O83A—Mo1A | 103.5 (2) | C13A—N1A—C11A | 110.7 (9) |
Mo8B—O83B—Mo6B | 110.2 (2) | H1N—N4A—H2N | 112 |
Mo8B—O83B—Mo1B | 110.1 (2) | H1N—N4A—H3N | 100 |
Mo6B—O83B—Mo1B | 103.3 (2) | H2N—N4A—H3N | 104 |
Mo7A—O72A—Mo1A | 92.79 (17) | H1N—N4A—H4N | 117 |
Mo7A—O72A—Mo3A | 92.2 (2) | H2N—N4A—H4N | 116 |
Mo1A—O72A—Mo3A | 163.9 (2) | H3N—N4A—H4N | 106 |
Mo7A—O72A—Mo8A | 104.12 (18) | H5N—N4B—H6N | 105 |
Mo1A—O72A—Mo8A | 97.16 (18) | H5N—N4B—H7N | 117 |
Mo3A—O72A—Mo8A | 96.48 (17) | H6N—N4B—H7N | 102 |
Mo7A—O72A—Mo2A | 164.9 (2) | H5N—N4B—H8N | 101 |
Mo1A—O72A—Mo2A | 86.17 (17) | H6N—N4B—H8N | 117 |
Mo3A—O72A—Mo2A | 85.00 (15) | H7N—N4B—H8N | 115 |
Mo2B—O84B—Mo8B—O81B | −179.8 (3) | Mo8B—O72B—Mo3B—O32B | 177.3 (2) |
Mo2B—O84B—Mo8B—O33B | −76.7 (3) | Mo2B—O72B—Mo3B—O32B | 85.9 (2) |
Mo2B—O84B—Mo8B—O83B | 77.3 (3) | Mo7B—O72B—Mo3B—O23B | −178.8 (2) |
Mo2B—O84B—Mo8B—O82B | −0.6 (7) | Mo1B—O72B—Mo3B—O23B | −73.5 (9) |
Mo2B—O84B—Mo8B—O72B | 0.6 (2) | Mo8B—O72B—Mo3B—O23B | 77.2 (2) |
Mo4B—O33B—Mo8B—O81B | −75.5 (3) | Mo2B—O72B—Mo3B—O23B | −14.12 (17) |
Mo3B—O33B—Mo8B—O81B | 171.6 (2) | Mo7B—O72B—Mo3B—O73B | 17.25 (16) |
Mo4B—O33B—Mo8B—O84B | 178.0 (2) | Mo1B—O72B—Mo3B—O73B | 122.6 (9) |
Mo3B—O33B—Mo8B—O84B | 65.1 (2) | Mo8B—O72B—Mo3B—O73B | −86.68 (18) |
Mo4B—O33B—Mo8B—O83B | 62.8 (5) | Mo2B—O72B—Mo3B—O73B | −178.03 (19) |
Mo3B—O33B—Mo8B—O83B | −50.0 (5) | Mo7B—O72B—Mo3B—O33B | 93.37 (17) |
Mo4B—O33B—Mo8B—O82B | 21.8 (2) | Mo1B—O72B—Mo3B—O33B | −161.3 (9) |
Mo3B—O33B—Mo8B—O82B | −91.0 (2) | Mo8B—O72B—Mo3B—O33B | −10.57 (15) |
Mo4B—O33B—Mo8B—O72B | 99.5 (2) | Mo2B—O72B—Mo3B—O33B | −101.92 (17) |
Mo3B—O33B—Mo8B—O72B | −13.32 (19) | Mo3A—O23A—Mo2A—O22A | 177.8 (3) |
Mo6B—O83B—Mo8B—O81B | 75.3 (3) | Mo3A—O23A—Mo2A—O21A | 70.7 (3) |
Mo1B—O83B—Mo8B—O81B | −171.5 (2) | Mo3A—O23A—Mo2A—O13A | −44.3 (5) |
Mo6B—O83B—Mo8B—O84B | −178.2 (2) | Mo3A—O23A—Mo2A—O84A | −91.8 (3) |
Mo1B—O83B—Mo8B—O84B | −64.9 (3) | Mo3A—O23A—Mo2A—O72A | −20.3 (2) |
Mo6B—O83B—Mo8B—O33B | −63.2 (5) | Mo1A—O13A—Mo2A—O22A | −179.1 (3) |
Mo1B—O83B—Mo8B—O33B | 50.1 (5) | Mo1A—O13A—Mo2A—O21A | −72.3 (3) |
Mo6B—O83B—Mo8B—O82B | −22.2 (2) | Mo1A—O13A—Mo2A—O23A | 42.8 (5) |
Mo1B—O83B—Mo8B—O82B | 91.1 (2) | Mo1A—O13A—Mo2A—O84A | 90.2 (3) |
Mo6B—O83B—Mo8B—O72B | −99.9 (2) | Mo1A—O13A—Mo2A—O72A | 18.6 (2) |
Mo1B—O83B—Mo8B—O72B | 13.35 (19) | Mo8A—O84A—Mo2A—O22A | −179.7 (3) |
Mo4B—O82B—Mo8B—O81B | 82.0 (2) | Mo8A—O84A—Mo2A—O21A | 0.1 (9) |
Mo7B—O82B—Mo8B—O81B | −179.4 (2) | Mo8A—O84A—Mo2A—O23A | 76.9 (3) |
Mo6B—O82B—Mo8B—O81B | −82.0 (2) | Mo8A—O84A—Mo2A—O13A | −77.3 (3) |
Mo5B—O82B—Mo8B—O81B | −3.3 (10) | Mo8A—O84A—Mo2A—O72A | −0.9 (2) |
Mo4B—O82B—Mo8B—O84B | −97.2 (5) | Mo7A—O72A—Mo2A—O22A | −179.0 (8) |
Mo7B—O82B—Mo8B—O84B | 1.3 (6) | Mo1A—O72A—Mo2A—O22A | −92.5 (7) |
Mo6B—O82B—Mo8B—O84B | 98.8 (5) | Mo3A—O72A—Mo2A—O22A | 101.0 (7) |
Mo5B—O82B—Mo8B—O84B | 177.5 (7) | Mo8A—O72A—Mo2A—O22A | 4.6 (8) |
Mo4B—O82B—Mo8B—O33B | −17.54 (16) | Mo7A—O72A—Mo2A—O21A | −2.8 (10) |
Mo7B—O82B—Mo8B—O33B | 81.0 (2) | Mo1A—O72A—Mo2A—O21A | 83.7 (2) |
Mo6B—O82B—Mo8B—O33B | 178.5 (2) | Mo3A—O72A—Mo2A—O21A | −82.7 (2) |
Mo5B—O82B—Mo8B—O33B | −102.8 (10) | Mo8A—O72A—Mo2A—O21A | −179.1 (2) |
Mo4B—O82B—Mo8B—O83B | −178.8 (2) | Mo7A—O72A—Mo2A—O23A | 94.4 (9) |
Mo7B—O82B—Mo8B—O83B | −80.2 (2) | Mo1A—O72A—Mo2A—O23A | −179.1 (2) |
Mo6B—O82B—Mo8B—O83B | 17.26 (16) | Mo3A—O72A—Mo2A—O23A | 14.44 (18) |
Mo5B—O82B—Mo8B—O83B | 95.9 (10) | Mo8A—O72A—Mo2A—O23A | −82.0 (2) |
Mo4B—O82B—Mo8B—O72B | −98.45 (16) | Mo7A—O72A—Mo2A—O13A | −99.8 (10) |
Mo7B—O82B—Mo8B—O72B | 0.1 (2) | Mo1A—O72A—Mo2A—O13A | −13.29 (16) |
Mo6B—O82B—Mo8B—O72B | 97.58 (15) | Mo3A—O72A—Mo2A—O13A | −179.8 (2) |
Mo5B—O82B—Mo8B—O72B | 176.3 (9) | Mo8A—O72A—Mo2A—O13A | 83.82 (19) |
Mo7B—O72B—Mo8B—O81B | 5 (3) | Mo7A—O72A—Mo2A—O84A | 176.9 (10) |
Mo1B—O72B—Mo8B—O81B | −89 (3) | Mo1A—O72A—Mo2A—O84A | −96.54 (17) |
Mo3B—O72B—Mo8B—O81B | 99 (3) | Mo3A—O72A—Mo2A—O84A | 96.98 (17) |
Mo2B—O72B—Mo8B—O81B | −176 (3) | Mo8A—O72A—Mo2A—O84A | 0.57 (15) |
Mo7B—O72B—Mo8B—O84B | −179.6 (3) | Mo3B—O23B—Mo2B—O22B | 176.7 (3) |
Mo1B—O72B—Mo8B—O84B | 86.2 (2) | Mo3B—O23B—Mo2B—O21B | 69.7 (3) |
Mo3B—O72B—Mo8B—O84B | −86.0 (2) | Mo3B—O23B—Mo2B—O13B | −45.3 (5) |
Mo2B—O72B—Mo8B—O84B | −0.52 (19) | Mo3B—O23B—Mo2B—O84B | −92.3 (3) |
Mo7B—O72B—Mo8B—O33B | −81.4 (2) | Mo3B—O23B—Mo2B—O72B | −20.3 (2) |
Mo1B—O72B—Mo8B—O33B | −175.5 (2) | Mo1B—O13B—Mo2B—O22B | −176.6 (3) |
Mo3B—O72B—Mo8B—O33B | 12.23 (18) | Mo1B—O13B—Mo2B—O21B | −70.3 (3) |
Mo2B—O72B—Mo8B—O33B | 97.76 (19) | Mo1B—O13B—Mo2B—O23B | 44.8 (5) |
Mo7B—O72B—Mo8B—O83B | 81.6 (2) | Mo1B—O13B—Mo2B—O84B | 91.8 (3) |
Mo1B—O72B—Mo8B—O83B | −12.64 (18) | Mo1B—O13B—Mo2B—O72B | 19.6 (2) |
Mo3B—O72B—Mo8B—O83B | 175.1 (2) | Mo8B—O84B—Mo2B—O22B | −178.2 (3) |
Mo2B—O72B—Mo8B—O83B | −99.3 (2) | Mo8B—O84B—Mo2B—O21B | −0.1 (8) |
Mo7B—O72B—Mo8B—O82B | −0.1 (3) | Mo8B—O84B—Mo2B—O23B | 77.7 (3) |
Mo1B—O72B—Mo8B—O82B | −94.33 (19) | Mo8B—O84B—Mo2B—O13B | −77.6 (3) |
Mo3B—O72B—Mo8B—O82B | 93.46 (17) | Mo8B—O84B—Mo2B—O72B | −0.6 (2) |
Mo2B—O72B—Mo8B—O82B | 178.99 (13) | Mo7B—O72B—Mo2B—O22B | −174.2 (8) |
Mo5B—O53B—Mo6B—O61B | 178.7 (3) | Mo1B—O72B—Mo2B—O22B | −88.3 (8) |
Mo5B—O53B—Mo6B—O62B | 70.6 (3) | Mo8B—O72B—Mo2B—O22B | 9.0 (8) |
Mo5B—O53B—Mo6B—O83B | −48.3 (5) | Mo3B—O72B—Mo2B—O22B | 105.4 (7) |
Mo5B—O53B—Mo6B—O63B | −92.1 (3) | Mo7B—O72B—Mo2B—O21B | −2.6 (10) |
Mo5B—O53B—Mo6B—O82B | −20.6 (3) | Mo1B—O72B—Mo2B—O21B | 83.3 (2) |
Mo8B—O83B—Mo6B—O61B | −178.0 (3) | Mo8B—O72B—Mo2B—O21B | −179.4 (2) |
Mo1B—O83B—Mo6B—O61B | 64.4 (3) | Mo3B—O72B—Mo2B—O21B | −83.0 (2) |
Mo8B—O83B—Mo6B—O62B | −71.2 (3) | Mo7B—O72B—Mo2B—O23B | 94.5 (10) |
Mo1B—O83B—Mo6B—O62B | 171.2 (3) | Mo1B—O72B—Mo2B—O23B | −179.58 (19) |
Mo8B—O83B—Mo6B—O53B | 48.7 (4) | Mo8B—O72B—Mo2B—O23B | −82.3 (2) |
Mo1B—O83B—Mo6B—O53B | −68.9 (4) | Mo3B—O72B—Mo2B—O23B | 14.12 (18) |
Mo8B—O83B—Mo6B—O63B | 95.1 (2) | Mo7B—O72B—Mo2B—O13B | −99.7 (10) |
Mo1B—O83B—Mo6B—O63B | −22.46 (16) | Mo1B—O72B—Mo2B—O13B | −13.80 (16) |
Mo8B—O83B—Mo6B—O82B | 20.17 (19) | Mo8B—O72B—Mo2B—O13B | 83.52 (19) |
Mo1B—O83B—Mo6B—O82B | −97.4 (2) | Mo3B—O72B—Mo2B—O13B | 179.9 (2) |
Mo7B—O63B—Mo6B—O61B | 167.3 (3) | Mo7B—O72B—Mo2B—O84B | 177.2 (10) |
Mo1B—O63B—Mo6B—O61B | −75.0 (3) | Mo1B—O72B—Mo2B—O84B | −96.90 (18) |
Mo7B—O63B—Mo6B—O62B | −40.3 (9) | Mo8B—O72B—Mo2B—O84B | 0.42 (15) |
Mo1B—O63B—Mo6B—O62B | 77.4 (8) | Mo3B—O72B—Mo2B—O84B | 96.79 (17) |
Mo7B—O63B—Mo6B—O53B | 64.4 (2) | Mo5A—O53A—Mo6A—O61A | 177.8 (3) |
Mo1B—O63B—Mo6B—O53B | −177.9 (2) | Mo5A—O53A—Mo6A—O62A | 69.7 (3) |
Mo7B—O63B—Mo6B—O83B | −91.2 (3) | Mo5A—O53A—Mo6A—O83A | −49.7 (5) |
Mo1B—O63B—Mo6B—O83B | 26.5 (2) | Mo5A—O53A—Mo6A—O63A | −93.6 (3) |
Mo7B—O63B—Mo6B—O82B | −14.4 (2) | Mo5A—O53A—Mo6A—O82A | −21.3 (3) |
Mo1B—O63B—Mo6B—O82B | 103.3 (2) | Mo8A—O83A—Mo6A—O61A | −177.4 (3) |
Mo8B—O82B—Mo6B—O61B | −88.8 (7) | Mo1A—O83A—Mo6A—O61A | 64.7 (3) |
Mo4B—O82B—Mo6B—O61B | 163.6 (8) | Mo8A—O83A—Mo6A—O62A | −71.1 (3) |
Mo7B—O82B—Mo6B—O61B | 16.2 (8) | Mo1A—O83A—Mo6A—O62A | 171.0 (2) |
Mo5B—O82B—Mo6B—O61B | 106.8 (7) | Mo8A—O83A—Mo6A—O53A | 49.7 (4) |
Mo8B—O82B—Mo6B—O62B | 78.5 (2) | Mo1A—O83A—Mo6A—O53A | −68.2 (4) |
Mo4B—O82B—Mo6B—O62B | −29.2 (9) | Mo8A—O83A—Mo6A—O63A | 96.2 (2) |
Mo7B—O82B—Mo6B—O62B | −176.6 (2) | Mo1A—O83A—Mo6A—O63A | −21.72 (17) |
Mo5B—O82B—Mo6B—O62B | −85.9 (2) | Mo8A—O83A—Mo6A—O82A | 20.49 (19) |
Mo8B—O82B—Mo6B—O53B | 178.6 (2) | Mo1A—O83A—Mo6A—O82A | −97.4 (2) |
Mo4B—O82B—Mo6B—O53B | 70.9 (9) | Mo7A—O63A—Mo6A—O61A | 166.9 (3) |
Mo7B—O82B—Mo6B—O53B | −76.5 (2) | Mo1A—O63A—Mo6A—O61A | −75.9 (2) |
Mo5B—O82B—Mo6B—O53B | 14.16 (18) | Mo7A—O63A—Mo6A—O62A | −45.3 (8) |
Mo8B—O82B—Mo6B—O83B | −17.50 (16) | Mo1A—O63A—Mo6A—O62A | 71.9 (8) |
Mo4B—O82B—Mo6B—O83B | −125.2 (9) | Mo7A—O63A—Mo6A—O53A | 64.2 (2) |
Mo7B—O82B—Mo6B—O83B | 87.43 (18) | Mo1A—O63A—Mo6A—O53A | −178.6 (2) |
Mo5B—O82B—Mo6B—O83B | 178.07 (19) | Mo7A—O63A—Mo6A—O83A | −92.0 (2) |
Mo8B—O82B—Mo6B—O63B | −93.86 (18) | Mo1A—O63A—Mo6A—O83A | 25.1 (2) |
Mo4B—O82B—Mo6B—O63B | 158.5 (9) | Mo7A—O63A—Mo6A—O82A | −14.9 (2) |
Mo7B—O82B—Mo6B—O63B | 11.07 (16) | Mo1A—O63A—Mo6A—O82A | 102.2 (2) |
Mo5B—O82B—Mo6B—O63B | 101.71 (17) | Mo8A—O82A—Mo6A—O61A | −87.8 (7) |
Mo2A—O84A—Mo8A—O81A | −179.7 (3) | Mo4A—O82A—Mo6A—O61A | 163.6 (8) |
Mo2A—O84A—Mo8A—O33A | −76.4 (3) | Mo7A—O82A—Mo6A—O61A | 17.4 (8) |
Mo2A—O84A—Mo8A—O83A | 76.9 (3) | Mo5A—O82A—Mo6A—O61A | 108.2 (7) |
Mo2A—O84A—Mo8A—O82A | 0.5 (7) | Mo8A—O82A—Mo6A—O62A | 77.6 (2) |
Mo2A—O84A—Mo8A—O72A | 0.9 (2) | Mo4A—O82A—Mo6A—O62A | −31.0 (9) |
Mo4A—O33A—Mo8A—O81A | −76.3 (3) | Mo7A—O82A—Mo6A—O62A | −177.2 (2) |
Mo3A—O33A—Mo8A—O81A | 171.2 (2) | Mo5A—O82A—Mo6A—O62A | −86.4 (2) |
Mo4A—O33A—Mo8A—O84A | 177.2 (2) | Mo8A—O82A—Mo6A—O53A | 178.4 (2) |
Mo3A—O33A—Mo8A—O84A | 64.7 (2) | Mo4A—O82A—Mo6A—O53A | 69.9 (9) |
Mo4A—O33A—Mo8A—O83A | 62.3 (5) | Mo7A—O82A—Mo6A—O53A | −76.3 (2) |
Mo3A—O33A—Mo8A—O83A | −50.2 (5) | Mo5A—O82A—Mo6A—O53A | 14.48 (18) |
Mo4A—O33A—Mo8A—O82A | 21.4 (2) | Mo8A—O82A—Mo6A—O83A | −17.58 (16) |
Mo3A—O33A—Mo8A—O82A | −91.1 (2) | Mo4A—O82A—Mo6A—O83A | −126.1 (9) |
Mo4A—O33A—Mo8A—O72A | 98.7 (2) | Mo7A—O82A—Mo6A—O83A | 87.69 (19) |
Mo3A—O33A—Mo8A—O72A | −13.83 (19) | Mo5A—O82A—Mo6A—O83A | 178.5 (2) |
Mo6A—O83A—Mo8A—O81A | 75.6 (3) | Mo8A—O82A—Mo6A—O63A | −93.71 (18) |
Mo1A—O83A—Mo8A—O81A | −170.9 (2) | Mo4A—O82A—Mo6A—O63A | 157.7 (9) |
Mo6A—O83A—Mo8A—O84A | −177.9 (2) | Mo7A—O82A—Mo6A—O63A | 11.56 (16) |
Mo1A—O83A—Mo8A—O84A | −64.5 (3) | Mo5A—O82A—Mo6A—O63A | 102.35 (17) |
Mo6A—O83A—Mo8A—O33A | −62.9 (4) | Mo5A—O43A—Mo4A—O41A | −179.8 (3) |
Mo1A—O83A—Mo8A—O33A | 50.5 (5) | Mo5A—O43A—Mo4A—O42A | −71.6 (3) |
Mo6A—O83A—Mo8A—O82A | −22.0 (2) | Mo5A—O43A—Mo4A—O33A | 47.7 (5) |
Mo1A—O83A—Mo8A—O82A | 91.4 (2) | Mo5A—O43A—Mo4A—O73A | 92.2 (3) |
Mo6A—O83A—Mo8A—O72A | −99.5 (2) | Mo5A—O43A—Mo4A—O82A | 20.3 (2) |
Mo1A—O83A—Mo8A—O72A | 13.94 (19) | Mo8A—O33A—Mo4A—O41A | 179.1 (3) |
Mo4A—O82A—Mo8A—O81A | 82.2 (2) | Mo3A—O33A—Mo4A—O41A | −63.8 (2) |
Mo6A—O82A—Mo8A—O81A | −82.1 (2) | Mo8A—O33A—Mo4A—O42A | 72.5 (3) |
Mo7A—O82A—Mo8A—O81A | −179.6 (2) | Mo3A—O33A—Mo4A—O42A | −170.5 (2) |
Mo5A—O82A—Mo8A—O81A | −1.7 (10) | Mo8A—O33A—Mo4A—O43A | −48.2 (5) |
Mo4A—O82A—Mo8A—O84A | −98.1 (5) | Mo3A—O33A—Mo4A—O43A | 68.9 (4) |
Mo6A—O82A—Mo8A—O84A | 97.7 (5) | Mo8A—O33A—Mo4A—O73A | −95.4 (2) |
Mo7A—O82A—Mo8A—O84A | 0.2 (6) | Mo3A—O33A—Mo4A—O73A | 21.62 (17) |
Mo5A—O82A—Mo8A—O84A | 178.1 (7) | Mo8A—O33A—Mo4A—O82A | −20.08 (19) |
Mo4A—O82A—Mo8A—O33A | −17.34 (17) | Mo3A—O33A—Mo4A—O82A | 97.0 (2) |
Mo6A—O82A—Mo8A—O33A | 178.4 (2) | Mo7A—O73A—Mo4A—O41A | −165.4 (3) |
Mo7A—O82A—Mo8A—O33A | 80.9 (2) | Mo3A—O73A—Mo4A—O41A | 76.1 (3) |
Mo5A—O82A—Mo8A—O33A | −101.2 (9) | Mo7A—O73A—Mo4A—O42A | 47.9 (8) |
Mo4A—O82A—Mo8A—O83A | −178.1 (2) | Mo3A—O73A—Mo4A—O42A | −70.6 (8) |
Mo6A—O82A—Mo8A—O83A | 17.63 (16) | Mo7A—O73A—Mo4A—O43A | −63.8 (3) |
Mo7A—O82A—Mo8A—O83A | −79.9 (2) | Mo3A—O73A—Mo4A—O43A | 177.7 (2) |
Mo5A—O82A—Mo8A—O83A | 98.0 (10) | Mo7A—O73A—Mo4A—O33A | 92.9 (3) |
Mo4A—O82A—Mo8A—O72A | −98.41 (16) | Mo3A—O73A—Mo4A—O33A | −25.5 (2) |
Mo6A—O82A—Mo8A—O72A | 97.33 (15) | Mo7A—O73A—Mo4A—O82A | 15.4 (2) |
Mo7A—O82A—Mo8A—O72A | −0.1 (2) | Mo3A—O73A—Mo4A—O82A | −103.1 (2) |
Mo5A—O82A—Mo8A—O72A | 177.7 (9) | Mo8A—O82A—Mo4A—O41A | 91.0 (7) |
Mo7A—O72A—Mo8A—O81A | 7 (3) | Mo6A—O82A—Mo4A—O41A | −160.5 (8) |
Mo1A—O72A—Mo8A—O81A | −88 (3) | Mo7A—O82A—Mo4A—O41A | −14.4 (7) |
Mo3A—O72A—Mo8A—O81A | 101 (3) | Mo5A—O82A—Mo4A—O41A | −105.2 (6) |
Mo2A—O72A—Mo8A—O81A | −174 (3) | Mo8A—O82A—Mo4A—O42A | −77.4 (2) |
Mo7A—O72A—Mo8A—O84A | −179.7 (2) | Mo6A—O82A—Mo4A—O42A | 31.1 (9) |
Mo1A—O72A—Mo8A—O84A | 85.6 (2) | Mo7A—O82A—Mo4A—O42A | 177.2 (2) |
Mo3A—O72A—Mo8A—O84A | −85.8 (2) | Mo5A—O82A—Mo4A—O42A | 86.4 (2) |
Mo2A—O72A—Mo8A—O84A | −0.69 (18) | Mo8A—O82A—Mo4A—O43A | −177.7 (2) |
Mo7A—O72A—Mo8A—O33A | −81.0 (2) | Mo6A—O82A—Mo4A—O43A | −69.2 (9) |
Mo1A—O72A—Mo8A—O33A | −175.7 (2) | Mo7A—O82A—Mo4A—O43A | 76.9 (2) |
Mo3A—O72A—Mo8A—O33A | 12.98 (18) | Mo5A—O82A—Mo4A—O43A | −13.91 (16) |
Mo2A—O72A—Mo8A—O33A | 98.06 (19) | Mo8A—O82A—Mo4A—O33A | 17.22 (17) |
Mo7A—O72A—Mo8A—O83A | 81.6 (2) | Mo6A—O82A—Mo4A—O33A | 125.7 (9) |
Mo1A—O72A—Mo8A—O83A | −13.13 (17) | Mo7A—O82A—Mo4A—O33A | −88.1 (2) |
Mo3A—O72A—Mo8A—O83A | 175.5 (2) | Mo5A—O82A—Mo4A—O33A | −179.0 (2) |
Mo2A—O72A—Mo8A—O83A | −99.39 (19) | Mo8A—O82A—Mo4A—O73A | 93.43 (19) |
Mo7A—O72A—Mo8A—O82A | 0.2 (3) | Mo6A—O82A—Mo4A—O73A | −158.1 (9) |
Mo1A—O72A—Mo8A—O82A | −94.56 (19) | Mo7A—O82A—Mo4A—O73A | −11.92 (15) |
Mo3A—O72A—Mo8A—O82A | 94.09 (18) | Mo5A—O82A—Mo4A—O73A | −102.75 (18) |
Mo2A—O72A—Mo8A—O82A | 179.17 (13) | Mo6A—O53A—Mo5A—O52A | −177.1 (3) |
Mo5A—O74A—Mo7A—O71A | 179.5 (3) | Mo6A—O53A—Mo5A—O51A | −70.8 (3) |
Mo5A—O74A—Mo7A—O63A | 75.8 (3) | Mo6A—O53A—Mo5A—O43A | 45.6 (5) |
Mo5A—O74A—Mo7A—O73A | −76.8 (3) | Mo6A—O53A—Mo5A—O74A | 92.1 (3) |
Mo5A—O74A—Mo7A—O72A | −0.5 (7) | Mo6A—O53A—Mo5A—O82A | 20.5 (2) |
Mo5A—O74A—Mo7A—O82A | −0.8 (2) | Mo4A—O43A—Mo5A—O52A | 177.8 (3) |
Mo1A—O63A—Mo7A—O71A | 75.8 (3) | Mo4A—O43A—Mo5A—O51A | 72.0 (3) |
Mo6A—O63A—Mo7A—O71A | −170.7 (2) | Mo4A—O43A—Mo5A—O53A | −44.5 (5) |
Mo1A—O63A—Mo7A—O74A | −178.4 (2) | Mo4A—O43A—Mo5A—O74A | −91.0 (3) |
Mo6A—O63A—Mo7A—O74A | −64.9 (2) | Mo4A—O43A—Mo5A—O82A | −19.4 (2) |
Mo1A—O63A—Mo7A—O73A | −62.7 (4) | Mo7A—O74A—Mo5A—O52A | 179.7 (3) |
Mo6A—O63A—Mo7A—O73A | 50.8 (4) | Mo7A—O74A—Mo5A—O51A | 1.2 (9) |
Mo1A—O63A—Mo7A—O72A | −21.56 (19) | Mo7A—O74A—Mo5A—O53A | −76.8 (3) |
Mo6A—O63A—Mo7A—O72A | 91.9 (2) | Mo7A—O74A—Mo5A—O43A | 77.9 (3) |
Mo1A—O63A—Mo7A—O82A | −99.0 (2) | Mo7A—O74A—Mo5A—O82A | 0.8 (2) |
Mo6A—O63A—Mo7A—O82A | 14.46 (19) | Mo8A—O82A—Mo5A—O52A | 177.8 (8) |
Mo3A—O73A—Mo7A—O71A | −75.2 (3) | Mo4A—O82A—Mo5A—O52A | 92.9 (8) |
Mo4A—O73A—Mo7A—O71A | 170.3 (2) | Mo6A—O82A—Mo5A—O52A | −100.7 (8) |
Mo3A—O73A—Mo7A—O74A | 179.1 (2) | Mo7A—O82A—Mo5A—O52A | −4.3 (8) |
Mo4A—O73A—Mo7A—O74A | 64.6 (3) | Mo8A—O82A—Mo5A—O51A | 1.7 (10) |
Mo3A—O73A—Mo7A—O63A | 63.3 (4) | Mo4A—O82A—Mo5A—O51A | −83.2 (2) |
Mo4A—O73A—Mo7A—O63A | −51.2 (5) | Mo6A—O82A—Mo5A—O51A | 83.1 (2) |
Mo3A—O73A—Mo7A—O72A | 22.24 (19) | Mo7A—O82A—Mo5A—O51A | 179.6 (2) |
Mo4A—O73A—Mo7A—O72A | −92.3 (2) | Mo8A—O82A—Mo5A—O53A | −96.0 (9) |
Mo3A—O73A—Mo7A—O82A | 99.8 (2) | Mo4A—O82A—Mo5A—O53A | 179.2 (2) |
Mo4A—O73A—Mo7A—O82A | −14.75 (19) | Mo6A—O82A—Mo5A—O53A | −14.48 (18) |
Mo1A—O72A—Mo7A—O71A | −82.4 (2) | Mo7A—O82A—Mo5A—O53A | 82.0 (2) |
Mo3A—O72A—Mo7A—O71A | 82.3 (2) | Mo8A—O82A—Mo5A—O43A | 98.8 (10) |
Mo8A—O72A—Mo7A—O71A | 179.5 (2) | Mo4A—O82A—Mo5A—O43A | 13.90 (16) |
Mo2A—O72A—Mo7A—O71A | 3.3 (10) | Mo6A—O82A—Mo5A—O43A | −179.7 (2) |
Mo1A—O72A—Mo7A—O74A | 97.7 (5) | Mo7A—O82A—Mo5A—O43A | −83.29 (19) |
Mo3A—O72A—Mo7A—O74A | −97.7 (5) | Mo8A—O82A—Mo5A—O74A | −178.5 (10) |
Mo8A—O72A—Mo7A—O74A | −0.4 (6) | Mo4A—O82A—Mo5A—O74A | 96.67 (19) |
Mo2A—O72A—Mo7A—O74A | −176.6 (7) | Mo6A—O82A—Mo5A—O74A | −96.98 (18) |
Mo1A—O72A—Mo7A—O63A | 17.57 (16) | Mo7A—O82A—Mo5A—O74A | −0.52 (16) |
Mo3A—O72A—Mo7A—O63A | −177.78 (19) | Mo5B—O43B—Mo4B—O41B | 180.0 (3) |
Mo8A—O72A—Mo7A—O63A | −80.5 (2) | Mo5B—O43B—Mo4B—O42B | −71.7 (3) |
Mo2A—O72A—Mo7A—O63A | 103.2 (9) | Mo5B—O43B—Mo4B—O33B | 49.2 (5) |
Mo1A—O72A—Mo7A—O73A | 177.70 (19) | Mo5B—O43B—Mo4B—O73B | 92.7 (3) |
Mo3A—O72A—Mo7A—O73A | −17.64 (15) | Mo5B—O43B—Mo4B—O82B | 20.7 (2) |
Mo8A—O72A—Mo7A—O73A | 79.60 (19) | Mo8B—O33B—Mo4B—O41B | 179.5 (3) |
Mo2A—O72A—Mo7A—O73A | −96.6 (10) | Mo3B—O33B—Mo4B—O41B | −62.4 (2) |
Mo1A—O72A—Mo7A—O82A | 97.96 (16) | Mo8B—O33B—Mo4B—O42B | 72.9 (3) |
Mo3A—O72A—Mo7A—O82A | −97.39 (15) | Mo3B—O33B—Mo4B—O42B | −169.1 (2) |
Mo8A—O72A—Mo7A—O82A | −0.1 (2) | Mo8B—O33B—Mo4B—O43B | −49.5 (4) |
Mo2A—O72A—Mo7A—O82A | −176.4 (9) | Mo3B—O33B—Mo4B—O43B | 68.5 (4) |
Mo8A—O82A—Mo7A—O71A | −4 (3) | Mo8B—O33B—Mo4B—O73B | −95.6 (2) |
Mo4A—O82A—Mo7A—O71A | 91 (3) | Mo3B—O33B—Mo4B—O73B | 22.40 (16) |
Mo6A—O82A—Mo7A—O71A | −98 (3) | Mo8B—O33B—Mo4B—O82B | −20.18 (19) |
Mo5A—O82A—Mo7A—O71A | 177 (3) | Mo3B—O33B—Mo4B—O82B | 97.8 (2) |
Mo8A—O82A—Mo7A—O74A | −180.0 (3) | Mo7B—O73B—Mo4B—O41B | −166.5 (3) |
Mo4A—O82A—Mo7A—O74A | −85.1 (2) | Mo3B—O73B—Mo4B—O41B | 75.5 (2) |
Mo6A—O82A—Mo7A—O74A | 85.6 (2) | Mo7B—O73B—Mo4B—O42B | 47.1 (8) |
Mo5A—O82A—Mo7A—O74A | 0.6 (2) | Mo3B—O73B—Mo4B—O42B | −70.9 (8) |
Mo8A—O82A—Mo7A—O63A | 81.1 (2) | Mo7B—O73B—Mo4B—O43B | −64.7 (3) |
Mo4A—O82A—Mo7A—O63A | 175.9 (2) | Mo3B—O73B—Mo4B—O43B | 177.3 (2) |
Mo6A—O82A—Mo7A—O63A | −13.35 (18) | Mo7B—O73B—Mo4B—O33B | 91.6 (2) |
Mo5A—O82A—Mo7A—O63A | −98.34 (19) | Mo3B—O73B—Mo4B—O33B | −26.4 (2) |
Mo8A—O82A—Mo7A—O73A | −81.0 (2) | Mo7B—O73B—Mo4B—O82B | 14.5 (2) |
Mo4A—O82A—Mo7A—O73A | 13.81 (17) | Mo3B—O73B—Mo4B—O82B | −103.5 (2) |
Mo6A—O82A—Mo7A—O73A | −175.4 (2) | Mo8B—O82B—Mo4B—O41B | 91.1 (6) |
Mo5A—O82A—Mo7A—O73A | 99.6 (2) | Mo7B—O82B—Mo4B—O41B | −14.0 (7) |
Mo8A—O82A—Mo7A—O72A | 0.2 (3) | Mo6B—O82B—Mo4B—O41B | −161.4 (7) |
Mo4A—O82A—Mo7A—O72A | 94.97 (19) | Mo5B—O82B—Mo4B—O41B | −104.7 (6) |
Mo6A—O82A—Mo7A—O72A | −94.26 (17) | Mo8B—O82B—Mo4B—O42B | −77.4 (2) |
Mo5A—O82A—Mo7A—O72A | −179.25 (13) | Mo7B—O82B—Mo4B—O42B | 177.5 (2) |
Mo5B—O74B—Mo7B—O71B | −179.8 (3) | Mo6B—O82B—Mo4B—O42B | 30.2 (9) |
Mo5B—O74B—Mo7B—O63B | 76.0 (3) | Mo5B—O82B—Mo4B—O42B | 86.8 (2) |
Mo5B—O74B—Mo7B—O73B | −77.3 (3) | Mo8B—O82B—Mo4B—O43B | −178.6 (2) |
Mo5B—O74B—Mo7B—O72B | −0.1 (7) | Mo7B—O82B—Mo4B—O43B | 76.3 (2) |
Mo5B—O74B—Mo7B—O82B | −0.8 (2) | Mo6B—O82B—Mo4B—O43B | −71.0 (8) |
Mo1B—O63B—Mo7B—O71B | 75.3 (3) | Mo5B—O82B—Mo4B—O43B | −14.36 (16) |
Mo6B—O63B—Mo7B—O71B | −170.5 (2) | Mo8B—O82B—Mo4B—O33B | 17.57 (17) |
Mo1B—O63B—Mo7B—O74B | −179.5 (2) | Mo7B—O82B—Mo4B—O33B | −87.5 (2) |
Mo6B—O63B—Mo7B—O74B | −65.3 (2) | Mo6B—O82B—Mo4B—O33B | 125.1 (9) |
Mo1B—O63B—Mo7B—O73B | −65.0 (4) | Mo5B—O82B—Mo4B—O33B | −178.2 (2) |
Mo6B—O63B—Mo7B—O73B | 49.2 (5) | Mo8B—O82B—Mo4B—O73B | 93.79 (19) |
Mo1B—O63B—Mo7B—O72B | −22.4 (2) | Mo7B—O82B—Mo4B—O73B | −11.32 (15) |
Mo6B—O63B—Mo7B—O72B | 91.8 (2) | Mo6B—O82B—Mo4B—O73B | −158.7 (9) |
Mo1B—O63B—Mo7B—O82B | −100.2 (2) | Mo5B—O82B—Mo4B—O73B | −102.02 (17) |
Mo6B—O63B—Mo7B—O82B | 14.1 (2) | Mo2A—O13A—Mo1A—O11A | 180.0 (3) |
Mo3B—O73B—Mo7B—O71B | −76.1 (3) | Mo2A—O13A—Mo1A—O12A | 72.9 (3) |
Mo4B—O73B—Mo7B—O71B | 170.3 (2) | Mo2A—O13A—Mo1A—O63A | −47.6 (5) |
Mo3B—O73B—Mo7B—O74B | 178.9 (2) | Mo2A—O13A—Mo1A—O83A | −92.2 (3) |
Mo4B—O73B—Mo7B—O74B | 65.3 (2) | Mo2A—O13A—Mo1A—O72A | −19.5 (2) |
Mo3B—O73B—Mo7B—O63B | 64.5 (4) | Mo7A—O63A—Mo1A—O11A | −178.2 (2) |
Mo4B—O73B—Mo7B—O63B | −49.1 (5) | Mo6A—O63A—Mo1A—O11A | 63.6 (2) |
Mo3B—O73B—Mo7B—O72B | 21.96 (19) | Mo7A—O63A—Mo1A—O12A | −72.5 (3) |
Mo4B—O73B—Mo7B—O72B | −91.7 (2) | Mo6A—O63A—Mo1A—O12A | 169.3 (2) |
Mo3B—O73B—Mo7B—O82B | 99.7 (2) | Mo7A—O63A—Mo1A—O13A | 49.1 (4) |
Mo4B—O73B—Mo7B—O82B | −13.94 (19) | Mo6A—O63A—Mo1A—O13A | −69.1 (4) |
Mo1B—O72B—Mo7B—O71B | −82.6 (2) | Mo7A—O63A—Mo1A—O83A | 96.5 (2) |
Mo8B—O72B—Mo7B—O71B | 179.2 (2) | Mo6A—O63A—Mo1A—O83A | −21.72 (17) |
Mo3B—O72B—Mo7B—O71B | 82.0 (2) | Mo7A—O63A—Mo1A—O72A | 20.40 (18) |
Mo2B—O72B—Mo7B—O71B | 2.5 (10) | Mo6A—O63A—Mo1A—O72A | −97.8 (2) |
Mo1B—O72B—Mo7B—O74B | 97.7 (5) | Mo8A—O83A—Mo1A—O11A | 166.2 (3) |
Mo8B—O72B—Mo7B—O74B | −0.6 (6) | Mo6A—O83A—Mo1A—O11A | −76.4 (2) |
Mo3B—O72B—Mo7B—O74B | −97.7 (5) | Mo8A—O83A—Mo1A—O12A | −48.8 (9) |
Mo2B—O72B—Mo7B—O74B | −177.2 (7) | Mo6A—O83A—Mo1A—O12A | 68.6 (8) |
Mo1B—O72B—Mo7B—O63B | 17.98 (16) | Mo8A—O83A—Mo1A—O13A | 64.2 (2) |
Mo8B—O72B—Mo7B—O63B | −80.2 (2) | Mo6A—O83A—Mo1A—O13A | −178.4 (2) |
Mo3B—O72B—Mo7B—O63B | −177.39 (19) | Mo8A—O83A—Mo1A—O63A | −92.2 (3) |
Mo2B—O72B—Mo7B—O63B | 103.1 (10) | Mo6A—O83A—Mo1A—O63A | 25.15 (19) |
Mo1B—O72B—Mo7B—O73B | 178.23 (19) | Mo8A—O83A—Mo1A—O72A | −14.6 (2) |
Mo8B—O72B—Mo7B—O73B | 80.02 (19) | Mo6A—O83A—Mo1A—O72A | 102.7 (2) |
Mo3B—O72B—Mo7B—O73B | −17.14 (15) | Mo7A—O72A—Mo1A—O11A | −90.8 (7) |
Mo2B—O72B—Mo7B—O73B | −96.7 (10) | Mo3A—O72A—Mo1A—O11A | 161.3 (7) |
Mo1B—O72B—Mo7B—O82B | 98.32 (15) | Mo8A—O72A—Mo1A—O11A | 13.8 (7) |
Mo8B—O72B—Mo7B—O82B | 0.1 (2) | Mo2A—O72A—Mo1A—O11A | 104.4 (6) |
Mo3B—O72B—Mo7B—O82B | −97.05 (15) | Mo7A—O72A—Mo1A—O12A | 77.8 (2) |
Mo2B—O72B—Mo7B—O82B | −176.6 (9) | Mo3A—O72A—Mo1A—O12A | −30.1 (9) |
Mo8B—O82B—Mo7B—O71B | −12 (3) | Mo8A—O72A—Mo1A—O12A | −177.6 (2) |
Mo4B—O82B—Mo7B—O71B | 83 (3) | Mo2A—O72A—Mo1A—O12A | −87.0 (2) |
Mo6B—O82B—Mo7B—O71B | −106 (3) | Mo7A—O72A—Mo1A—O13A | 178.1 (2) |
Mo5B—O82B—Mo7B—O71B | 169 (3) | Mo3A—O72A—Mo1A—O13A | 70.1 (9) |
Mo8B—O82B—Mo7B—O74B | 179.6 (3) | Mo8A—O72A—Mo1A—O13A | −77.3 (2) |
Mo4B—O82B—Mo7B—O74B | −85.3 (2) | Mo2A—O72A—Mo1A—O13A | 13.19 (16) |
Mo6B—O82B—Mo7B—O74B | 85.6 (2) | Mo7A—O72A—Mo1A—O63A | −17.38 (16) |
Mo5B—O82B—Mo7B—O74B | 0.65 (19) | Mo3A—O72A—Mo1A—O63A | −125.3 (9) |
Mo8B—O82B—Mo7B—O63B | 81.2 (2) | Mo8A—O72A—Mo1A—O63A | 87.23 (19) |
Mo4B—O82B—Mo7B—O63B | 176.3 (2) | Mo2A—O72A—Mo1A—O63A | 177.75 (18) |
Mo6B—O82B—Mo7B—O63B | −12.77 (18) | Mo7A—O72A—Mo1A—O83A | −93.26 (18) |
Mo5B—O82B—Mo7B—O63B | −97.7 (2) | Mo3A—O72A—Mo1A—O83A | 158.8 (9) |
Mo8B—O82B—Mo7B—O73B | −82.0 (2) | Mo8A—O72A—Mo1A—O83A | 11.36 (15) |
Mo4B—O82B—Mo7B—O73B | 13.08 (17) | Mo2A—O72A—Mo1A—O83A | 101.88 (17) |
Mo6B—O82B—Mo7B—O73B | −176.0 (2) | Mo2B—O13B—Mo1B—O11B | 179.4 (3) |
Mo5B—O82B—Mo7B—O73B | 99.08 (19) | Mo2B—O13B—Mo1B—O12B | 72.1 (3) |
Mo8B—O82B—Mo7B—O72B | −0.1 (3) | Mo2B—O13B—Mo1B—O63B | −48.8 (5) |
Mo4B—O82B—Mo7B—O72B | 94.92 (19) | Mo2B—O13B—Mo1B—O72B | −20.0 (2) |
Mo6B—O82B—Mo7B—O72B | −94.13 (17) | Mo2B—O13B—Mo1B—O83B | −92.5 (3) |
Mo5B—O82B—Mo7B—O72B | −179.08 (13) | Mo7B—O63B—Mo1B—O11B | −177.9 (2) |
Mo6B—O53B—Mo5B—O52B | −177.4 (3) | Mo6B—O63B—Mo1B—O11B | 62.8 (2) |
Mo6B—O53B—Mo5B—O51B | −70.0 (3) | Mo7B—O63B—Mo1B—O12B | −72.0 (3) |
Mo6B—O53B—Mo5B—O43B | 45.1 (5) | Mo6B—O63B—Mo1B—O12B | 168.7 (2) |
Mo6B—O53B—Mo5B—O74B | 92.4 (3) | Mo7B—O63B—Mo1B—O13B | 50.3 (4) |
Mo6B—O53B—Mo5B—O82B | 20.2 (3) | Mo6B—O63B—Mo1B—O13B | −69.1 (4) |
Mo4B—O43B—Mo5B—O52B | 177.0 (3) | Mo7B—O63B—Mo1B—O72B | 20.86 (19) |
Mo4B—O43B—Mo5B—O51B | 70.1 (3) | Mo6B—O63B—Mo1B—O72B | −98.5 (2) |
Mo4B—O43B—Mo5B—O53B | −45.0 (5) | Mo7B—O63B—Mo1B—O83B | 96.9 (2) |
Mo4B—O43B—Mo5B—O74B | −92.5 (3) | Mo6B—O63B—Mo1B—O83B | −22.47 (16) |
Mo4B—O43B—Mo5B—O82B | −20.0 (2) | Mo7B—O72B—Mo1B—O11B | −92.9 (7) |
Mo7B—O74B—Mo5B—O52B | 179.0 (3) | Mo8B—O72B—Mo1B—O11B | 11.2 (7) |
Mo7B—O74B—Mo5B—O51B | 1.9 (9) | Mo3B—O72B—Mo1B—O11B | 161.8 (8) |
Mo7B—O74B—Mo5B—O53B | −77.2 (3) | Mo2B—O72B—Mo1B—O11B | 102.6 (6) |
Mo7B—O74B—Mo5B—O43B | 77.9 (3) | Mo7B—O72B—Mo1B—O12B | 77.6 (2) |
Mo7B—O74B—Mo5B—O82B | 0.8 (2) | Mo8B—O72B—Mo1B—O12B | −178.3 (2) |
Mo8B—O82B—Mo5B—O52B | 177.1 (8) | Mo3B—O72B—Mo1B—O12B | −27.7 (9) |
Mo4B—O82B—Mo5B—O52B | 90.8 (7) | Mo2B—O72B—Mo1B—O12B | −86.9 (2) |
Mo7B—O82B—Mo5B—O52B | −6.7 (8) | Mo7B—O72B—Mo1B—O13B | 178.6 (2) |
Mo6B—O82B—Mo5B—O52B | −103.2 (7) | Mo8B—O72B—Mo1B—O13B | −77.4 (2) |
Mo8B—O82B—Mo5B—O51B | 3.5 (10) | Mo3B—O72B—Mo1B—O13B | 73.3 (8) |
Mo4B—O82B—Mo5B—O51B | −82.7 (2) | Mo2B—O72B—Mo1B—O13B | 14.04 (16) |
Mo7B—O82B—Mo5B—O51B | 179.8 (2) | Mo7B—O72B—Mo1B—O63B | −17.91 (16) |
Mo6B—O82B—Mo5B—O51B | 83.2 (2) | Mo8B—O72B—Mo1B—O63B | 86.15 (19) |
Mo8B—O82B—Mo5B—O53B | −93.8 (10) | Mo3B—O72B—Mo1B—O63B | −123.2 (9) |
Mo4B—O82B—Mo5B—O53B | 180.0 (2) | Mo2B—O72B—Mo1B—O63B | 177.56 (19) |
Mo7B—O82B—Mo5B—O53B | 82.5 (2) | Mo7B—O72B—Mo1B—O83B | −93.17 (19) |
Mo6B—O82B—Mo5B—O53B | −14.07 (19) | Mo8B—O72B—Mo1B—O83B | 10.88 (15) |
Mo8B—O82B—Mo5B—O43B | 100.4 (10) | Mo3B—O72B—Mo1B—O83B | 161.6 (9) |
Mo4B—O82B—Mo5B—O43B | 14.18 (16) | Mo2B—O72B—Mo1B—O83B | 102.30 (17) |
Mo7B—O82B—Mo5B—O43B | −83.29 (19) | Mo8B—O83B—Mo1B—O11B | 166.2 (3) |
Mo6B—O82B—Mo5B—O43B | −179.9 (2) | Mo6B—O83B—Mo1B—O11B | −76.1 (3) |
Mo8B—O82B—Mo5B—O74B | −176.8 (10) | Mo8B—O83B—Mo1B—O12B | −48.4 (9) |
Mo4B—O82B—Mo5B—O74B | 96.93 (18) | Mo6B—O83B—Mo1B—O12B | 69.3 (8) |
Mo7B—O82B—Mo5B—O74B | −0.54 (16) | Mo8B—O83B—Mo1B—O13B | 64.4 (3) |
Mo6B—O82B—Mo5B—O74B | −97.12 (18) | Mo6B—O83B—Mo1B—O13B | −178.0 (2) |
Mo2A—O23A—Mo3A—O31A | −177.3 (3) | Mo8B—O83B—Mo1B—O63B | −91.3 (3) |
Mo2A—O23A—Mo3A—O32A | −69.9 (3) | Mo6B—O83B—Mo1B—O63B | 26.34 (19) |
Mo2A—O23A—Mo3A—O73A | 50.9 (5) | Mo8B—O83B—Mo1B—O72B | −13.9 (2) |
Mo2A—O23A—Mo3A—O33A | 93.9 (3) | Mo6B—O83B—Mo1B—O72B | 103.8 (2) |
Mo2A—O23A—Mo3A—O72A | 21.1 (2) | C18B—C17B—N1B—C15B | 56.3 (13) |
Mo7A—O73A—Mo3A—O31A | 176.3 (3) | C18B—C17B—N1B—C11B | 177.0 (11) |
Mo4A—O73A—Mo3A—O31A | −64.9 (3) | C18B—C17B—N1B—C13B | −62.3 (13) |
Mo7A—O73A—Mo3A—O32A | 70.2 (3) | C16B—C15B—N1B—C17B | 51.9 (13) |
Mo4A—O73A—Mo3A—O32A | −171.0 (2) | C16B—C15B—N1B—C11B | −64.8 (12) |
Mo7A—O73A—Mo3A—O23A | −51.4 (4) | C16B—C15B—N1B—C13B | 173.5 (10) |
Mo4A—O73A—Mo3A—O23A | 67.4 (4) | C12B—C11B—N1B—C17B | 174.3 (10) |
Mo7A—O73A—Mo3A—O33A | −97.0 (2) | C12B—C11B—N1B—C15B | −65.1 (12) |
Mo4A—O73A—Mo3A—O33A | 21.82 (17) | C12B—C11B—N1B—C13B | 53.6 (13) |
Mo7A—O73A—Mo3A—O72A | −20.76 (18) | C14B—C13B—N1B—C17B | −59.8 (11) |
Mo4A—O73A—Mo3A—O72A | 98.0 (2) | C14B—C13B—N1B—C15B | 178.6 (9) |
Mo8A—O33A—Mo3A—O31A | −167.5 (3) | C14B—C13B—N1B—C11B | 56.9 (11) |
Mo4A—O33A—Mo3A—O31A | 75.9 (2) | C36A—C35A—N3A—C37A | −50.5 (12) |
Mo8A—O33A—Mo3A—O32A | 41.6 (9) | C36A—C35A—N3A—C33A | −171.7 (9) |
Mo4A—O33A—Mo3A—O32A | −75.0 (8) | C36A—C35A—N3A—C31A | 67.8 (11) |
Mo8A—O33A—Mo3A—O23A | −64.9 (2) | C38A—C37A—N3A—C35A | −58.9 (10) |
Mo4A—O33A—Mo3A—O23A | 178.5 (2) | C38A—C37A—N3A—C33A | 58.6 (10) |
Mo8A—O33A—Mo3A—O73A | 91.4 (3) | C38A—C37A—N3A—C31A | −179.5 (9) |
Mo4A—O33A—Mo3A—O73A | −25.2 (2) | C34A—C33A—N3A—C35A | −177.7 (10) |
Mo8A—O33A—Mo3A—O72A | 14.4 (2) | C34A—C33A—N3A—C37A | 60.4 (12) |
Mo4A—O33A—Mo3A—O72A | −102.2 (2) | C34A—C33A—N3A—C31A | −58.3 (12) |
Mo7A—O72A—Mo3A—O31A | 87.3 (7) | C32A—C31A—N3A—C35A | 58.3 (12) |
Mo1A—O72A—Mo3A—O31A | −164.7 (8) | C32A—C31A—N3A—C37A | −179.6 (9) |
Mo8A—O72A—Mo3A—O31A | −17.2 (8) | C32A—C31A—N3A—C33A | −58.0 (12) |
Mo2A—O72A—Mo3A—O31A | −107.6 (7) | C38B—C37B—N3B—C33B | 60.3 (12) |
Mo7A—O72A—Mo3A—O32A | −79.1 (2) | C38B—C37B—N3B—C35B | −58.5 (12) |
Mo1A—O72A—Mo3A—O32A | 28.9 (9) | C38B—C37B—N3B—C31B | −177.6 (9) |
Mo8A—O72A—Mo3A—O32A | 176.4 (2) | C34B—C33B—N3B—C37B | 61.5 (14) |
Mo2A—O72A—Mo3A—O32A | 86.0 (2) | C34B—C33B—N3B—C35B | −176.6 (12) |
Mo7A—O72A—Mo3A—O23A | −179.4 (2) | C34B—C33B—N3B—C31B | −55.0 (15) |
Mo1A—O72A—Mo3A—O23A | −71.4 (9) | C36B—C35B—N3B—C37B | −50.2 (16) |
Mo8A—O72A—Mo3A—O23A | 76.1 (2) | C36B—C35B—N3B—C33B | −171.4 (12) |
Mo2A—O72A—Mo3A—O23A | −14.33 (17) | C36B—C35B—N3B—C31B | 65.1 (15) |
Mo7A—O72A—Mo3A—O73A | 17.58 (16) | C32B—C31B—N3B—C37B | −174.9 (11) |
Mo1A—O72A—Mo3A—O73A | 125.6 (9) | C32B—C31B—N3B—C33B | −54.6 (15) |
Mo8A—O72A—Mo3A—O73A | −86.90 (18) | C32B—C31B—N3B—C35B | 64.9 (13) |
Mo2A—O72A—Mo3A—O73A | −177.34 (19) | C22B—C21B—N2B—C27B | 57.7 (12) |
Mo7A—O72A—Mo3A—O33A | 93.35 (18) | C22B—C21B—N2B—C23B | −179.5 (9) |
Mo1A—O72A—Mo3A—O33A | −158.6 (9) | C22B—C21B—N2B—C25B | −61.1 (11) |
Mo8A—O72A—Mo3A—O33A | −11.13 (16) | C28B—C27B—N2B—C21B | 57.7 (12) |
Mo2A—O72A—Mo3A—O33A | −101.57 (17) | C28B—C27B—N2B—C23B | −61.8 (11) |
Mo2B—O23B—Mo3B—O31B | −178.8 (3) | C28B—C27B—N2B—C25B | 178.1 (10) |
Mo2B—O23B—Mo3B—O32B | −70.6 (3) | C24B—C23B—N2B—C21B | 178.0 (9) |
Mo2B—O23B—Mo3B—O73B | 47.8 (5) | C24B—C23B—N2B—C27B | −58.4 (11) |
Mo2B—O23B—Mo3B—O33B | 92.7 (3) | C24B—C23B—N2B—C25B | 59.8 (11) |
Mo2B—O23B—Mo3B—O72B | 20.5 (2) | C26B—C25B—N2B—C21B | −59.6 (11) |
Mo7B—O73B—Mo3B—O31B | 178.1 (2) | C26B—C25B—N2B—C27B | 177.6 (9) |
Mo4B—O73B—Mo3B—O31B | −63.7 (2) | C26B—C25B—N2B—C23B | 56.3 (10) |
Mo7B—O73B—Mo3B—O32B | 71.5 (3) | C28A—C27A—N2A—C21A | −58.0 (10) |
Mo4B—O73B—Mo3B—O32B | −170.4 (2) | C28A—C27A—N2A—C23A | 59.8 (10) |
Mo7B—O73B—Mo3B—O23B | −48.0 (4) | C28A—C27A—N2A—C25A | −179.5 (9) |
Mo4B—O73B—Mo3B—O23B | 70.1 (4) | C22A—C21A—N2A—C27A | −56.8 (11) |
Mo7B—O73B—Mo3B—O33B | −95.7 (2) | C22A—C21A—N2A—C23A | −177.4 (9) |
Mo4B—O73B—Mo3B—O33B | 22.49 (17) | C22A—C21A—N2A—C25A | 61.9 (11) |
Mo7B—O73B—Mo3B—O72B | −20.11 (18) | C24A—C23A—N2A—C27A | 57.0 (11) |
Mo4B—O73B—Mo3B—O72B | 98.1 (2) | C24A—C23A—N2A—C21A | 179.1 (9) |
Mo8B—O33B—Mo3B—O31B | −167.8 (3) | C24A—C23A—N2A—C25A | −60.5 (11) |
Mo4B—O33B—Mo3B—O31B | 75.4 (2) | C26A—C25A—N2A—C27A | 177.8 (10) |
Mo8B—O33B—Mo3B—O32B | 41.5 (9) | C26A—C25A—N2A—C21A | 55.0 (12) |
Mo4B—O33B—Mo3B—O32B | −75.3 (8) | C26A—C25A—N2A—C23A | −62.1 (12) |
Mo8B—O33B—Mo3B—O23B | −64.1 (2) | C18A—C17A—N1A—C15A | 56.4 (16) |
Mo4B—O33B—Mo3B—O23B | 179.0 (2) | C18A—C17A—N1A—C13A | −62.4 (16) |
Mo8B—O33B—Mo3B—O73B | 90.5 (2) | C18A—C17A—N1A—C11A | 176.3 (13) |
Mo4B—O33B—Mo3B—O73B | −26.3 (2) | C16A—C15A—N1A—C17A | 52.0 (16) |
Mo8B—O33B—Mo3B—O72B | 13.6 (2) | C16A—C15A—N1A—C13A | 176.7 (12) |
Mo4B—O33B—Mo3B—O72B | −103.2 (2) | C16A—C15A—N1A—C11A | −63.7 (14) |
Mo7B—O72B—Mo3B—O31B | 88.9 (7) | C14A—C13A—N1A—C17A | −59.1 (14) |
Mo1B—O72B—Mo3B—O31B | −165.8 (8) | C14A—C13A—N1A—C15A | 178.6 (10) |
Mo8B—O72B—Mo3B—O31B | −15.0 (7) | C14A—C13A—N1A—C11A | 58.6 (12) |
Mo2B—O72B—Mo3B—O31B | −106.4 (6) | C12A—C11A—N1A—C17A | −179.2 (12) |
Mo7B—O72B—Mo3B—O32B | −78.8 (2) | C12A—C11A—N1A—C15A | −59.4 (14) |
Mo1B—O72B—Mo3B—O32B | 26.6 (9) | C12A—C11A—N1A—C13A | 56.7 (15) |
D—H···A | D—H | H···A | D···A | D—H···A |
N4A—H1N···O12B | 0.82 | 2.399 (6) | 2.908 (10) | 121.3 (6) |
N4A—H1N···O21B | 0.82 | 2.388 (5) | 2.851 (10) | 116.8 (6) |
N4A—H1N···O32B | 0.82 | 2.571 (5) | 2.936 (9) | 108.7 (6) |
N4A—H1N···O71B | 0.82 | 2.482 (5) | 2.904 (10) | 113.3 (6) |
N4A—H2N···O42A | 0.96 | 2.457 (5) | 2.856 (10) | 104.9 (5) |
N4A—H2N···O51A | 0.96 | 2.216 (5) | 2.915 (10) | 129.2 (5) |
N4A—H3N···O12B | 0.73 | 2.566 (6) | 2.908 (10) | 110.9 (7) |
N4A—H3N···O62A | 0.73 | 2.261 (5) | 2.909 (9) | 148.30 (5) |
N4A—H4N···O42A | 0.96 | 2.511 (6) | 2.856 (10) | 101.1 (5) |
N4A—H4N···O81A | 0.96 | 1.999 (5) | 2.865 (10) | 149.2 (5) |
N4B—H5N···O12Ai | 0.84 | 2.441 (6) | 2.854 (10) | 110.9 (6) |
N4B—H5N···O32Ai | 0.84 | 2.445 (5) | 2.950 (9) | 119.1 (5) |
N4B—H5N···O71Ai | 0.84 | 2.458 (6) | 2.943 (10) | 117.4 (5) |
N4B—H6N···O12Ai | 0.95 | 2.387 (5) | 2.854 (10) | 109.9 (5) |
N4B—H6N···O62B | 0.95 | 2.214 (5) | 2.992 (9) | 138.5 (5) |
N4B—H7N···O42B | 0.97 | 2.385 (6) | 2.820 (10) | 106.8 (5) |
N4B—H7N···O81B | 0.97 | 2.089 (5) | 2.895 (10) | 139.6 (5) |
N4B—H8N···O51B | 0.96 | 2.122 (5) | 2.855 (10) | 132.5 (5) |
Symmetry code: (i) x, y, z−1. |
Experimental details
Crystal data | |
Chemical formula | NH4(C8H20N)3[Mo8O26] |
Mr | 1592.31 |
Crystal system, space group | Monoclinic, P21 |
Temperature (K) | 293 |
a, b, c (Å) | 10.7154 (2), 22.8873 (3), 19.9338 (2) |
β (°) | 96.906 (8) |
V (Å3) | 4853.23 (12) |
Z | 4 |
Radiation type | Mo Kα |
µ (mm−1) | 2.08 |
Crystal size (mm) | 0.25 × 0.15 × 0.05 |
Data collection | |
Diffractometer | Nonius KappaCCD diffractometer |
Absorption correction | – |
No. of measured, independent and observed [I > 2σ(I)] reflections | 57681, 29087, 21795 |
Rint | 0.074 |
(sin θ/λ)max (Å−1) | 0.724 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.048, 0.124, 1.01 |
No. of reflections | 29087 |
No. of parameters | 1117 |
No. of restraints | 1 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.86, −1.29 |
Absolute structure | Flack (1983), with 13317 Friedel pairs |
Absolute structure parameter | 0.17 (4) |
Computer programs: KappaCCD Server Software (Nonius, 1998), DENZO and SCALEPAK (Otwinowski & Minor, 1997), SIR2004 (Burla et al., 2005), SHELXL97 (Sheldrick, 2008), ORTEP-3 (Farrugia, 1997) and PLATON (Spek, 2003), WinGX (Farrugia, 1999).
D—H···A | D—H | H···A | D···A | D—H···A |
N4A—H1N···O12B | 0.82 | 2.399 (6) | 2.908 (10) | 121.32 (58) |
N4A—H1N···O21B | 0.82 | 2.388 (5) | 2.851 (10) | 116.76 (59) |
N4A—H1N···O32B | 0.82 | 2.571 (5) | 2.936 (9) | 108.68 (57) |
N4A—H1N···O71B | 0.82 | 2.482 (5) | 2.904 (10) | 113.29 (55) |
N4A—H2N···O42A | 0.96 | 2.457 (5) | 2.856 (10) | 104.87 (51) |
N4A—H2N···O51A | 0.96 | 2.216 (5) | 2.915 (10) | 129.21 (53) |
N4A—H3N···O12B | 0.73 | 2.566 (6) | 2.908 (10) | 110.92 (67) |
N4A—H3N···O62A | 0.73 | 2.261 (5) | 2.909 (9) | 148.30 (5) |
N4A—H4N···O42A | 0.96 | 2.511 (6) | 2.856 (10) | 101.14 (51) |
N4A—H4N···O81A | 0.96 | 1.999 (5) | 2.865 (10) | 149.24 (50) |
N4B—H5N···O12Ai | 0.84 | 2.441 (6) | 2.854 (10) | 110.89 (56) |
N4B—H5N···O32Ai | 0.84 | 2.445 (5) | 2.950 (9) | 119.12 (54) |
N4B—H5N···O71Ai | 0.84 | 2.458 (6) | 2.943 (10) | 117.38 (53) |
N4B—H6N···O12Ai | 0.95 | 2.387 (5) | 2.854 (10) | 109.94 (50) |
N4B—H6N···O62B | 0.95 | 2.214 (5) | 2.992 (9) | 138.49 (51) |
N4B—H7N···O42B | 0.97 | 2.385 (6) | 2.820 (10) | 106.78 (50) |
N4B—H7N···O81B | 0.97 | 2.089 (5) | 2.895 (10) | 139.63 (48) |
N4B—H8N···O51B | 0.96 | 2.122 (5) | 2.855 (10) | 132.53 (52) |
Symmetry code: (i) x, y, z−1. |
Acknowledgements
The authors thank Dr M. Giorgi from LBS-UMR 6517, Faculté des Sciences et Techniques de Saint Jérôme, France, for providing diffraction facilities, and the Centre Universitaire de Khenchela for financial support.
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The physical properties of polyoxomolybdates, containing Mo(VI) have made them the subject of intense research works for many years (Lindqvist, 1950; Román et al., 1994; Yan et al., 2003; Zhang et al., 2004; Liu et al., 2006; Nelson et al., 2007). These materials are generally constructed from [MoOx] polyhedra sharing common vertices and edges with one another and forming large anionic architectures (Briceño & Atencio, 2004; Thorn et al., 2005).
The octamolybdates have been the focus of special attention owing to the presence of several structure types (Hsieh et al., 1987; Harrison et al., 1993; Rarig & Zubieta, 2001; Niven et al., 1991; Nelson et al., 2006). Several compounds consisting of octamolybdate anions have been reported (Böschen et al., 1974; Chakrabarti & Natarajan, 2002; Xu et al., 2003; Xiao et al., 2005).
The asymmetric unit of the title compound consists of two ammonium, six tetraethylammonium cations and two hexacosaoxaoctamolybdate anions (Fig. 1).
The structure of the anions, as described recently (Liu & Guo, 2007), is constructed from an array of eight edge-shared MoO6 octahedra with 14 O(t), six O(µ2), four O(µ3) and two O(µ5) atoms.
The Mo—O distances, ranging from 1.684 (1) to 2.478 (1) Å, agree with those reported for other [Mo8O26]4- anions in the literature (Liu et al., 2008; Sun et al., 2006; Wu et al., 2001) and can be grouped into four sets bridging groups [Mo—O(terminal) 1.684 (1)–1.720 (1) Å, Mo—O(µ2): 1.742 (1)–2.271 (1) Å, Mo—O(µ3): 1.938 (1)–2.336 (1) Å and Mo—O(µ5): 2.108 (1)–2.477 (1) Å.
Polyhedral octamolybdates are separated by ammonium cations (Fig. 2) creating chains running along the c axis. In the crystal structure, an extended array of weak intermolecular C—H···O hydrogen bonds stabilizes the crystal packing.