metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890
Volume 64| Part 3| March 2008| Pages m474-m475

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

(Received 1 February 2008; accepted 11 February 2008; online 15 February 2008)

The structure of the title compound, NH4(C8H20N)3[Mo8O26], is built up by discrete cations and anions, with two formula units in the asymmetric unit. 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[Böschen, I., Buss, B. & Krebs, B. (1974). Acta Cryst. B30, 48-56.]); Briceño & Atencio (2004[Briceño, A. & Atencio, R. (2004). Acta Cryst. E60, i47-i49.]); Chakrabarti & Natarajan (2002[Chakrabarti, S. & Natarajan, S. (2002). Cryst. Growth Des. 2, 333-335.]); Harrison et al. (1993[Harrison, W. T. A., Stucky, G. D. & Gier, T. E. (1993). Acta Cryst. C49, 1900-1902.]); Hsieh et al. (1987[Hsieh, T.-C., Shaikh, S. N. & Zubieta, J. (1987). Inorg. Chem. 26, 4079-4089.]); Lindqvist (1950[Lindqvist, I. (1950). Ark. Kemi, 3, 349-355.]); Liu & Guo (2007[Liu, Y.-H. & Guo, G.-L. (2007). Acta Cryst. E63, m604-m606.]); Liu et al. (2006[Liu, B., Zhou, S., Li, C.-B. & Liu, T.-T. (2006). Acta Cryst. E62, m3117-m3118.], 2008[Liu, H., Zhang, Y. & Yu, D. (2008). Acta Cryst. E64, m305-m306.]); Nelson et al. (2006[Nelson, J. R., Narducci Sarjeant, A. & Norquist, A. J. (2006). Acta Cryst. E62, m1731-m1733.], 2007[Nelson, J. H., Narducci Sarjeant, A. & Norquist, A. J. (2007). Acta Cryst. E63, m1442-m1444.]); Niven et al. (1991[Niven, M. L., Cruywagen, J. J. & Heyns, J. B. B. (1991). J. Chem. Soc. Dalton Trans. pp. 2007-2010.]); Rarig & Zubieta (2001[Rarig, R. S. & Zubieta, J. (2001). Inorg. Chim. Acta, 312, 188-196.]); Román et al. (1994[Román, P., San José, A., Luque, A. & Gutiérrez-Zorrilla, J. M. (1994). Acta Cryst. C50, 1031-1034.]); Sun et al. (2006[Sun, D.-W., Zhang, Q. & Zhai, H.-J. (2006). Acta Cryst. E62, m2770-m2772.]); Thorn et al. (2005[Thorn, K. J., Narducci Sarjeant, A. & Norquist, A. J. (2005). Acta Cryst. E61, m1665-m1667.]); Wu et al. (2001[Wu, C.-D., Lu, C.-Z., Zhuang, H.-H. & Huang, J.-S. (2001). Acta Cryst. E57, m349-m351.]); Xiao et al. (2005[Xiao, D., An, H., Wang, E. & Xu, L. (2005). J. Mol. Struct. 738, 217-225.]); Xu et al. (2003[Xu, L., Qin, C., Wang, X., Wei, Y. & Wang, E. (2003). Inorg. Chem. 42, 7342-7344.]); Yan et al. (2003[Yan, Y., Wu, C.-D., Liu, J.-H., Zhang, Q.-Z. & Lu, C.-Z. (2003). Acta Cryst. E59, m102-m104.]); Zhang et al. (2004[Zhang, S.-F., Sun, Y.-Q. & Yang, G.-Y. (2004). Acta Cryst. C60, m299-m301.]).

[Scheme 1]

Experimental

Crystal data
  • NH4(C8H20N)3[Mo8O26]

  • Mr = 1592.31

  • Monoclinic, P 21

  • a = 10.7154 (2) Å

  • b = 22.8873 (3) Å

  • c = 19.9338 (2) Å

  • β = 96.906 (8)°

  • V = 4853.23 (12) Å3

  • Z = 4

  • Mo Kα radiation

  • μ = 2.08 mm−1

  • T = 293 (2) K

  • 0.25 × 0.15 × 0.05 mm

Data collection
  • Nonius KappaCCD diffractometer

  • Absorption correction: none

  • 57681 measured reflections

  • 29087 independent reflections

  • 21795 reflections with I > 2σ(I)

  • Rint = 0.074

Refinement
  • R[F2 > 2σ(F2)] = 0.048

  • wR(F2) = 0.124

  • S = 1.01

  • 29087 reflections

  • 1117 parameters

  • 1 restraint

  • H-atom parameters constrained

  • Δρmax = 0.86 e Å−3

  • Δρmin = −1.29 e Å−3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), with 13317 Friedel pairs

  • Flack parameter: 0.17 (4)

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A D—H H⋯A DA 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.

Data collection: KappaCCD Server Software (Nonius, 1998[Nonius (1998). KappaCCD Server Software. Nonius BV, Delft, The Netherlands.]); cell refinement: DENZO and SCALEPACK (Otwinowski & Minor, 1997[Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.]); data reduction: DENZO and SCALEPACK; program(s) used to solve structure: SIR2004 (Burla et al., 2005[Burla, M. C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano, G. L., De Caro, L., Giacovazzo, C., Polidori, G. & Spagna, R. (2005). J. Appl. Cryst. 38, 381-388.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: ORTEP-3 (Farrugia, 1997[Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.]) and PLATON (Spek, 2003[Spek, A. L. (2003). J. Appl. Cryst. 36, 7-13.]); software used to prepare material for publication: WinGX (Farrugia, 1999[Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.]).

Supporting information


Comment top

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.

Related literature top

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 top

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.

Refinement top

The title compound crystallizes in the non centrosymmetric space group P21 but the structure shows pseudo-symmetry m, which is fulfilled for approximately 91% of the atoms. Refinement in a higher symmetric space group 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.

Computing details top

Data collection: KappaCCD Server Software (Nonius, 1998); cell refinement: 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).

Figures top
[Figure 1] Fig. 1. Asymmetric unit of the title compound, showing 30% probability displacement ellipsoids and arbitrary spheres for H atoms.
[Figure 2] Fig. 2. A partial packing diagram of the title compound with N—H···O hydrogen bonds shown as dashed lines.
Ammonium tris(tetraethylammonium) hexacosaoxidooctamolybdate top
Crystal data top
NH4(C8H20N)3[Mo8O26]F(000) = 3120
Mr = 1592.31Dx = 2.179 Mg m3
Monoclinic, P21Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2ybCell parameters from 29087 reflections
a = 10.7154 (2) Åθ = 1.0–31.0°
b = 22.8873 (3) ŵ = 2.08 mm1
c = 19.9338 (2) ÅT = 293 K
β = 96.906 (8)°Prism, colourless
V = 4853.23 (12) Å30.25 × 0.15 × 0.05 mm
Z = 4
Data collection top
Nonius KappaCCD
diffractometer
21795 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.074
Graphite monochromatorθmax = 31.0°, θmin = 1.0°
ω/θ scansh = 1512
57681 measured reflectionsk = 3133
29087 independent reflectionsl = 2825
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.048H-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 reflectionsΔρmax = 0.86 e Å3
1117 parametersΔρmin = 1.29 e Å3
1 restraintAbsolute structure: Flack (1983), with 13317 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.17 (4)
Crystal data top
NH4(C8H20N)3[Mo8O26]V = 4853.23 (12) Å3
Mr = 1592.31Z = 4
Monoclinic, P21Mo Kα radiation
a = 10.7154 (2) ŵ = 2.08 mm1
b = 22.8873 (3) ÅT = 293 K
c = 19.9338 (2) Å0.25 × 0.15 × 0.05 mm
β = 96.906 (8)°
Data collection top
Nonius KappaCCD
diffractometer
21795 reflections with I > 2σ(I)
57681 measured reflectionsRint = 0.074
29087 independent reflections
Refinement top
R[F2 > 2σ(F2)] = 0.048H-atom parameters constrained
wR(F2) = 0.124Δρmax = 0.86 e Å3
S = 1.01Δρmin = 1.29 e Å3
29087 reflectionsAbsolute structure: Flack (1983), with 13317 Friedel pairs
1117 parametersAbsolute structure parameter: 0.17 (4)
1 restraint
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
C11B0.5900 (10)0.0413 (4)1.1150 (6)0.066 (3)
H11F0.60020.05621.15960.080*
H11G0.58270.07471.08580.080*
C12B0.4705 (11)0.0079 (6)1.1198 (6)0.090 (4)
H12F0.40190.03291.13670.135*
H12H0.47460.02451.15000.135*
H12G0.45760.00631.07590.135*
C17B0.8094 (10)0.0531 (4)1.0826 (6)0.062 (3)
H17G0.80870.07221.12610.074*
H17F0.78860.08241.05070.074*
C18B0.9424 (11)0.0322 (5)1.0604 (7)0.089 (4)
H18H0.99920.06471.05930.134*
H18F0.94660.01521.01610.134*
H18G0.96550.00341.09170.134*
C13B0.6950 (9)0.0206 (4)1.0217 (5)0.051 (2)
H13G0.77330.04051.00690.061*
H13F0.62980.05011.02890.061*
C14B0.6647 (11)0.0188 (5)0.9654 (6)0.072 (3)
H14H0.65870.00400.92550.108*
H14F0.73000.04740.95620.108*
H14G0.58600.03820.97860.108*
C15B0.7342 (10)0.0402 (4)1.1364 (4)0.056 (3)
H15F0.66140.06571.14210.067*
H15G0.80390.06291.11450.067*
C16B0.7648 (12)0.0237 (6)1.2051 (5)0.081 (3)
H16F0.77650.05851.23060.121*
H16H0.69710.00121.22790.121*
H16G0.84070.00101.20080.121*
C37A0.8065 (8)0.5109 (4)0.7215 (4)0.0412 (19)
H37C0.87830.48510.71170.049*
H37D0.73400.48670.73590.049*
C38A0.8300 (11)0.5503 (5)0.7793 (5)0.069 (3)
H38C0.84310.52690.81790.103*
H38D0.90320.57370.76630.103*
H38E0.75860.57520.79060.103*
C33A0.6717 (9)0.5826 (4)0.6681 (5)0.063 (3)
H33C0.66290.60250.62590.076*
H33D0.68940.61220.70060.076*
C34A0.5496 (10)0.5544 (5)0.6928 (6)0.079 (3)
H34E0.48550.58380.70070.119*
H34D0.52740.52730.65950.119*
H34C0.55720.53400.73420.119*
C31A0.7639 (10)0.4937 (4)0.6057 (4)0.055 (2)
H31C0.69350.46970.62420.066*
H31D0.83790.46900.59980.066*
C32A0.7386 (13)0.5163 (6)0.5368 (5)0.095 (4)
H32C0.72530.48390.50800.143*
H32D0.66520.54070.54200.143*
H32E0.80950.53870.51710.143*
C35A0.8932 (10)0.5803 (4)0.6292 (5)0.068 (3)
H35C0.87830.59440.58500.081*
H35D0.89510.61400.65860.081*
C36A1.0221 (10)0.5509 (5)0.6228 (6)0.093 (4)
H36D1.08530.57830.60490.139*
H36E1.03960.53800.66650.139*
H36C1.02240.51800.59300.139*
C31B0.7787 (12)0.4874 (5)1.1157 (5)0.073 (3)
H31F0.70460.46641.13550.088*
H31G0.84960.46091.11460.088*
C32B0.7615 (14)0.5032 (7)1.0450 (7)0.117 (5)
H32F0.74630.46851.02020.176*
H32G0.69120.52921.04520.176*
H32H0.83600.52221.02390.176*
C36B1.0417 (10)0.5365 (6)1.1401 (6)0.090 (4)
H36G1.11210.56061.12360.135*
H36H1.04880.52501.18580.135*
H36F1.04080.50231.11230.135*
C35B0.9245 (10)0.5695 (6)1.1379 (7)0.099 (4)
H35F0.92980.60471.16450.119*
H35G0.92120.58161.09160.119*
C33B0.7009 (11)0.5859 (5)1.1646 (7)0.082 (4)
H33F0.70560.60411.12040.099*
H33G0.71900.61571.19650.099*
C34B0.5712 (10)0.5651 (6)1.1835 (8)0.101 (5)
H34H0.51440.59771.18520.152*
H34G0.54970.53751.15050.152*
H34F0.56490.54671.22700.152*
C38B0.8294 (12)0.5536 (6)1.2869 (6)0.099 (5)
H38F0.82900.53211.32830.149*
H38G0.91020.57151.27550.149*
H38H0.76570.58321.29240.149*
C37B0.8032 (9)0.5122 (4)1.2306 (5)0.057 (3)
H37G0.72250.49361.24360.069*
H37F0.86660.48171.22680.069*
C26B0.6949 (9)0.3370 (6)0.9758 (6)0.098 (5)
H26H0.62450.35641.00070.148*
H26F0.73300.31121.00550.148*
H26G0.75540.36550.95760.148*
C25B0.6511 (6)0.3026 (3)0.9195 (3)0.0489 (17)
H25G0.58890.27460.93890.059*
H25F0.60910.32910.89160.059*
C27B0.6876 (7)0.2404 (4)0.8198 (4)0.061 (2)
H27F0.62050.21610.84150.073*
H27G0.64920.27060.79490.073*
C28B0.7712 (11)0.2031 (7)0.7696 (6)0.109 (5)
H28G0.72180.18650.73730.163*
H28F0.83670.22690.74660.163*
H28H0.80800.17220.79340.163*
C21B0.8170 (7)0.2264 (4)0.9148 (4)0.056 (2)
H21F0.88320.20680.88580.067*
H21G0.85610.24760.94890.067*
C22B0.7296 (10)0.1811 (7)0.9492 (7)0.118 (5)
H22G0.77590.15550.97540.177*
H22H0.66420.20010.97840.177*
H22F0.69310.15870.91570.177*
C23B0.8546 (6)0.3111 (4)0.8435 (4)0.0550 (19)
H23F0.91850.28890.81590.066*
H23G0.89390.32820.88030.066*
C25A0.1879 (7)0.2949 (4)0.4261 (4)0.065 (2)
H25D0.14480.26620.45080.078*
H25C0.12500.32130.40390.078*
C26A0.2785 (12)0.3297 (7)0.4761 (7)0.124 (6)
H26E0.23250.34840.50860.186*
H26D0.32010.35880.45210.186*
H26C0.33990.30380.49900.186*
C27A0.1540 (6)0.2306 (4)0.3304 (3)0.0507 (18)
H27D0.09030.25780.31090.061*
H27C0.11430.20400.35930.061*
C28A0.2019 (11)0.1955 (6)0.2736 (6)0.092 (4)
H28D0.13280.17560.24820.139*
H28E0.26270.16740.29250.139*
H28C0.24040.22150.24430.139*
C21A0.3582 (7)0.2250 (4)0.4049 (4)0.059 (2)
H21C0.40100.20790.36940.070*
H21D0.41850.24920.43240.070*
C22A0.3181 (9)0.1771 (6)0.4477 (7)0.114 (5)
H22D0.39030.15480.46590.171*
H22C0.26000.15210.42090.171*
H22E0.27820.19330.48400.171*
C23A0.3159 (7)0.3067 (4)0.3295 (4)0.0575 (19)
H23C0.35910.28480.29760.069*
H23D0.37910.32810.35860.069*
C15A0.7166 (12)0.0417 (4)0.6414 (5)0.070 (3)
H15C0.64060.06510.64550.084*
H15D0.78530.06690.62320.084*
C16A0.7398 (15)0.0239 (6)0.7106 (6)0.111 (5)
H16C0.74290.05800.73840.167*
H16E0.67320.00120.72980.167*
H16D0.81840.00340.70830.167*
C11A0.5875 (13)0.0434 (4)0.6125 (7)0.089 (4)
H11C0.59950.06250.65460.106*
H11D0.58400.07380.57880.106*
C12A0.4644 (12)0.0134 (7)0.6217 (6)0.101 (4)
H12C0.39910.04140.63430.152*
H12E0.46430.01560.65660.152*
H12D0.44980.00520.58020.152*
C13A0.6887 (11)0.0267 (5)0.5263 (5)0.064 (3)
H13D0.61750.05300.53480.077*
H13C0.76300.05060.51470.077*
C14A0.6698 (12)0.0111 (5)0.4652 (6)0.087 (4)
H14E0.66200.01360.42700.131*
H14C0.74070.03660.45520.131*
H14D0.59480.03400.47510.131*
C17A0.8105 (12)0.0467 (6)0.5868 (8)0.095 (4)
H17D0.80790.06700.62960.114*
H17C0.79950.07560.55250.114*
C18A0.9391 (14)0.0192 (7)0.5705 (8)0.128 (6)
H18E1.00260.04880.57110.192*
H18C0.94550.00170.52650.192*
H18D0.95070.01010.60350.192*
C24B0.8107 (10)0.3601 (6)0.8011 (7)0.120 (6)
H24F0.88110.38420.78460.180*
H24H0.77410.34390.76350.180*
H24G0.74920.38320.82810.180*
C24A0.2284 (10)0.3512 (6)0.2896 (7)0.106 (4)
H24C0.27710.37640.26420.159*
H24D0.18670.37420.32040.159*
H24E0.16700.33090.25920.159*
O63A0.4350 (4)0.2364 (2)0.5727 (2)0.0240 (10)
O63B0.4454 (4)0.2441 (2)1.0729 (2)0.0251 (10)
O33A0.0596 (4)0.3021 (2)0.6769 (2)0.0293 (11)
O84B0.0628 (5)0.1691 (2)1.1462 (2)0.0319 (11)
O33B0.0529 (4)0.2868 (2)1.1749 (2)0.0277 (11)
O82A0.2989 (5)0.2895 (2)0.6797 (2)0.0260 (11)
O83A0.2917 (4)0.1778 (2)0.6589 (2)0.0273 (10)
O83B0.3178 (5)0.1763 (2)1.1557 (2)0.0275 (10)
O72A0.1962 (4)0.2486 (2)0.5683 (2)0.0236 (11)
O82B0.2924 (5)0.2873 (2)1.1802 (2)0.0244 (10)
O21A0.0558 (5)0.1961 (2)0.4558 (2)0.0399 (13)
O74B0.4374 (4)0.3622 (2)1.1003 (2)0.0291 (10)
O22A0.0928 (5)0.1334 (2)0.5480 (3)0.0475 (13)
O42B0.1132 (5)0.3393 (3)1.2918 (2)0.0411 (13)
O73A0.2035 (5)0.3600 (2)0.5897 (2)0.0263 (10)
O72B0.2058 (4)0.2430 (2)1.0658 (2)0.0225 (10)
O51A0.4373 (5)0.3422 (3)0.7930 (3)0.0415 (13)
O73B0.1823 (4)0.3543 (2)1.0915 (2)0.0246 (9)
O32B0.0710 (5)0.3227 (3)0.9782 (2)0.0373 (13)
O41A0.0695 (5)0.4257 (2)0.6961 (3)0.0434 (13)
O31B0.0832 (5)0.3561 (2)1.0875 (2)0.0443 (13)
O52A0.5870 (5)0.4049 (2)0.7032 (3)0.0484 (14)
O84A0.0366 (4)0.1842 (2)0.6525 (2)0.0319 (11)
O13A0.1705 (4)0.1343 (2)0.5490 (2)0.0324 (11)
O22B0.0431 (5)0.1136 (2)1.0348 (3)0.0478 (14)
O43A0.3238 (5)0.4046 (2)0.6998 (2)0.0328 (11)
O23A0.0547 (5)0.2549 (2)0.5672 (2)0.0322 (11)
O62B0.4271 (5)0.2088 (3)1.2696 (3)0.0417 (14)
O42A0.1404 (5)0.3521 (3)0.7901 (2)0.0393 (13)
O81B0.1379 (5)0.2055 (2)1.2653 (2)0.0328 (12)
O11A0.4260 (5)0.1128 (2)0.5524 (3)0.0423 (13)
O61A0.5559 (5)0.1622 (2)0.6610 (3)0.0455 (13)
O62A0.4122 (5)0.2059 (2)0.7701 (3)0.0391 (13)
O12B0.3875 (5)0.1922 (3)0.9539 (2)0.0391 (12)
O52B0.5442 (5)0.4169 (2)1.2100 (3)0.0456 (13)
O41B0.0283 (5)0.4094 (2)1.1990 (3)0.0432 (13)
O71A0.3722 (5)0.3209 (3)0.4789 (2)0.0362 (12)
O71B0.3627 (5)0.3265 (2)0.9816 (2)0.0328 (12)
O32A0.0814 (5)0.3313 (3)0.4784 (3)0.0393 (13)
O51B0.4086 (5)0.3439 (3)1.2959 (3)0.0433 (13)
O53A0.5489 (4)0.2832 (2)0.6818 (3)0.0306 (11)
O74A0.4590 (5)0.3546 (2)0.5951 (2)0.0301 (10)
O23B0.0423 (5)0.2361 (2)1.0614 (2)0.0318 (11)
O12A0.3559 (5)0.1859 (3)0.4581 (2)0.0406 (13)
O53B0.5426 (4)0.2943 (2)1.1851 (3)0.0317 (11)
O61B0.5830 (5)0.1748 (3)1.1601 (3)0.0466 (13)
O81A0.1240 (5)0.2178 (2)0.7693 (2)0.0363 (12)
O31A0.0594 (5)0.3763 (2)0.5860 (3)0.0469 (14)
O11B0.4731 (5)0.1207 (2)1.0460 (3)0.0448 (14)
O21B0.0913 (5)0.1883 (2)0.9499 (2)0.0374 (12)
O13B0.2153 (5)0.1291 (2)1.0418 (2)0.0343 (11)
O43B0.2849 (5)0.4023 (2)1.2039 (2)0.0342 (11)
Mo8B0.16071 (6)0.21879 (2)1.18123 (3)0.02338 (12)
Mo6B0.46244 (6)0.22070 (3)1.18465 (3)0.02825 (13)
Mo8A0.14772 (6)0.22861 (2)0.68488 (3)0.02326 (13)
Mo7A0.34782 (6)0.30996 (3)0.56384 (3)0.02454 (12)
Mo7B0.33886 (6)0.31190 (2)1.06563 (3)0.02297 (12)
Mo5B0.44034 (6)0.36111 (3)1.21243 (3)0.03065 (14)
Mo3A0.04691 (6)0.32317 (3)0.56325 (3)0.02823 (14)
Mo3B0.03669 (6)0.31022 (3)1.06231 (3)0.02674 (13)
Mo2A0.02633 (6)0.18241 (3)0.54103 (3)0.02875 (13)
Mo2B0.05973 (6)0.17012 (3)1.03372 (3)0.02931 (13)
Mo6A0.44880 (6)0.21524 (2)0.68482 (3)0.02695 (13)
Mo4A0.16441 (6)0.36812 (2)0.70606 (3)0.02810 (13)
Mo5A0.46756 (6)0.35566 (3)0.70857 (3)0.02927 (13)
Mo4B0.13666 (6)0.35758 (2)1.20848 (3)0.02786 (13)
Mo1A0.33042 (6)0.17053 (2)0.54277 (3)0.02758 (13)
Mo1B0.36327 (6)0.17345 (2)1.03793 (3)0.02745 (13)
N1B0.7074 (7)0.0082 (3)1.0889 (4)0.0454 (17)
N3A0.7839 (7)0.5418 (3)0.6566 (4)0.0444 (17)
N3B0.8013 (8)0.5396 (3)1.1623 (4)0.059 (2)
N2B0.7529 (7)0.2690 (4)0.8734 (4)0.0378 (10)
N2A0.2534 (7)0.2637 (4)0.3725 (4)0.0391 (12)
N1A0.7031 (8)0.0053 (3)0.5909 (4)0.060 (2)
N4A0.2511 (8)0.2697 (4)0.8729 (4)0.0364 (10)
N4B0.2417 (8)0.2655 (4)1.3738 (4)0.0364 (11)
H1N0.24500.26060.91280.036*
H2N0.28050.30890.86560.036*
H3N0.30510.25190.85960.036*
H4N0.18320.25830.84860.036*
H5N0.23010.26381.41640.036*
H6N0.30100.23561.36060.036*
H7N0.17230.25431.34970.036*
H8N0.26960.30501.36680.036*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C11B0.075 (6)0.034 (4)0.085 (6)0.012 (4)0.015 (5)0.015 (4)
C12B0.076 (8)0.092 (9)0.096 (8)0.023 (7)0.014 (6)0.024 (7)
C17B0.069 (6)0.033 (4)0.085 (7)0.016 (4)0.018 (5)0.010 (4)
C18B0.063 (6)0.053 (6)0.153 (11)0.026 (5)0.015 (7)0.013 (7)
C13B0.054 (6)0.039 (5)0.056 (5)0.005 (4)0.002 (4)0.001 (4)
C14B0.077 (8)0.052 (6)0.091 (8)0.009 (6)0.028 (6)0.007 (5)
C15B0.083 (7)0.031 (4)0.052 (5)0.012 (4)0.000 (4)0.011 (4)
C16B0.124 (9)0.057 (6)0.061 (6)0.003 (6)0.010 (6)0.005 (5)
C37A0.047 (5)0.022 (3)0.054 (4)0.000 (3)0.001 (4)0.012 (3)
C38A0.075 (7)0.063 (6)0.065 (6)0.012 (6)0.003 (5)0.013 (5)
C33A0.069 (6)0.037 (5)0.078 (6)0.024 (4)0.011 (5)0.012 (4)
C34A0.055 (6)0.073 (7)0.103 (8)0.025 (5)0.017 (5)0.012 (6)
C31A0.072 (6)0.039 (5)0.052 (5)0.008 (4)0.002 (4)0.001 (4)
C32A0.144 (11)0.087 (9)0.056 (6)0.000 (9)0.018 (7)0.012 (6)
C35A0.080 (7)0.040 (5)0.076 (6)0.014 (5)0.019 (5)0.008 (4)
C36A0.070 (7)0.065 (7)0.131 (10)0.012 (6)0.042 (7)0.011 (7)
C31B0.097 (8)0.038 (5)0.080 (7)0.023 (5)0.012 (6)0.013 (5)
C32B0.125 (12)0.122 (12)0.103 (10)0.034 (10)0.006 (8)0.008 (9)
C36B0.060 (6)0.081 (8)0.121 (9)0.010 (6)0.019 (6)0.040 (7)
C35B0.068 (7)0.076 (8)0.143 (11)0.004 (6)0.030 (7)0.041 (7)
C33B0.086 (8)0.034 (5)0.127 (10)0.013 (5)0.011 (7)0.000 (6)
C34B0.054 (6)0.064 (7)0.184 (14)0.010 (5)0.004 (7)0.027 (8)
C38B0.100 (10)0.081 (9)0.107 (9)0.009 (8)0.025 (7)0.048 (7)
C37B0.058 (6)0.035 (5)0.072 (6)0.011 (4)0.023 (5)0.013 (4)
C26B0.046 (5)0.133 (12)0.114 (9)0.022 (6)0.003 (5)0.059 (8)
C25B0.031 (3)0.065 (5)0.048 (4)0.001 (3)0.004 (3)0.010 (4)
C27B0.043 (4)0.084 (7)0.061 (5)0.013 (4)0.024 (4)0.016 (4)
C28B0.081 (8)0.162 (13)0.091 (8)0.057 (8)0.040 (6)0.079 (8)
C21B0.040 (4)0.060 (5)0.071 (5)0.003 (4)0.022 (3)0.023 (4)
C22B0.072 (8)0.110 (10)0.176 (12)0.011 (8)0.027 (8)0.087 (10)
C23B0.032 (4)0.065 (5)0.064 (5)0.009 (4)0.008 (3)0.009 (4)
C25A0.043 (4)0.091 (7)0.067 (5)0.015 (4)0.028 (4)0.025 (5)
C26A0.084 (8)0.170 (15)0.127 (11)0.045 (9)0.051 (8)0.094 (10)
C27A0.032 (4)0.066 (5)0.053 (4)0.006 (3)0.005 (3)0.007 (4)
C28A0.087 (8)0.108 (10)0.079 (7)0.007 (7)0.001 (6)0.055 (7)
C21A0.040 (4)0.062 (5)0.070 (5)0.006 (4)0.009 (3)0.018 (4)
C22A0.057 (7)0.111 (10)0.166 (11)0.032 (7)0.022 (7)0.077 (9)
C23A0.045 (4)0.065 (5)0.065 (5)0.003 (4)0.016 (3)0.007 (4)
C15A0.094 (8)0.034 (4)0.075 (6)0.004 (5)0.016 (6)0.010 (4)
C16A0.186 (15)0.070 (8)0.078 (8)0.014 (9)0.013 (8)0.021 (6)
C11A0.124 (10)0.028 (5)0.105 (8)0.010 (6)0.020 (7)0.023 (5)
C12A0.093 (9)0.104 (10)0.102 (9)0.036 (8)0.013 (7)0.033 (8)
C13A0.070 (7)0.048 (6)0.071 (6)0.002 (5)0.007 (5)0.001 (5)
C14A0.096 (9)0.061 (7)0.105 (9)0.001 (7)0.013 (7)0.005 (7)
C17A0.093 (9)0.060 (7)0.137 (11)0.042 (7)0.034 (8)0.007 (7)
C18A0.089 (10)0.128 (13)0.164 (14)0.037 (9)0.002 (9)0.026 (10)
C24B0.076 (7)0.120 (11)0.152 (11)0.030 (8)0.033 (7)0.095 (10)
C24A0.062 (7)0.098 (9)0.161 (11)0.018 (7)0.027 (7)0.068 (8)
O63A0.024 (2)0.021 (2)0.027 (2)0.0004 (17)0.0073 (17)0.0003 (16)
O63B0.024 (2)0.024 (2)0.027 (2)0.0006 (17)0.0062 (18)0.0040 (16)
O33A0.025 (2)0.023 (2)0.039 (3)0.0057 (19)0.0019 (19)0.0062 (19)
O84B0.033 (2)0.030 (2)0.032 (2)0.003 (2)0.0007 (18)0.0052 (19)
O33B0.027 (2)0.025 (2)0.031 (2)0.0007 (19)0.0002 (18)0.0007 (17)
O82A0.029 (3)0.021 (2)0.029 (3)0.002 (2)0.007 (2)0.0037 (18)
O83A0.027 (2)0.022 (2)0.034 (2)0.0004 (19)0.0079 (17)0.0006 (18)
O83B0.032 (2)0.020 (2)0.031 (2)0.0044 (19)0.0050 (17)0.0010 (18)
O72A0.025 (2)0.025 (2)0.021 (2)0.0009 (19)0.0013 (18)0.0002 (17)
O82B0.028 (2)0.020 (2)0.026 (2)0.0005 (19)0.0077 (19)0.0023 (16)
O21A0.049 (3)0.038 (3)0.035 (3)0.001 (2)0.012 (2)0.008 (2)
O74B0.033 (2)0.025 (2)0.030 (2)0.0071 (19)0.0081 (17)0.0047 (17)
O22A0.046 (3)0.039 (3)0.059 (3)0.010 (2)0.016 (2)0.006 (2)
O42B0.050 (3)0.043 (3)0.031 (2)0.007 (2)0.007 (2)0.008 (2)
O73A0.032 (2)0.017 (2)0.032 (2)0.0013 (18)0.0085 (17)0.0016 (17)
O72B0.027 (2)0.019 (2)0.022 (2)0.0033 (19)0.0052 (18)0.0002 (15)
O51A0.049 (3)0.041 (3)0.035 (3)0.001 (2)0.009 (2)0.006 (2)
O73B0.030 (2)0.016 (2)0.029 (2)0.0002 (18)0.0079 (16)0.0002 (17)
O32B0.041 (3)0.038 (3)0.034 (3)0.001 (2)0.012 (2)0.006 (2)
O41A0.044 (3)0.035 (3)0.053 (3)0.012 (2)0.014 (2)0.009 (2)
O31B0.045 (3)0.044 (3)0.045 (3)0.009 (3)0.010 (2)0.010 (2)
O52A0.049 (3)0.039 (3)0.059 (3)0.021 (2)0.010 (2)0.003 (2)
O84A0.032 (2)0.028 (2)0.037 (2)0.002 (2)0.0071 (18)0.0022 (19)
O13A0.039 (3)0.019 (2)0.041 (2)0.005 (2)0.009 (2)0.0049 (17)
O22B0.047 (3)0.044 (3)0.055 (3)0.013 (2)0.015 (2)0.005 (2)
O43A0.041 (3)0.024 (2)0.035 (2)0.001 (2)0.0079 (19)0.0022 (18)
O23A0.032 (2)0.030 (3)0.036 (2)0.002 (2)0.007 (2)0.0015 (19)
O62B0.049 (3)0.041 (3)0.039 (3)0.003 (3)0.017 (2)0.006 (2)
O42A0.041 (3)0.047 (3)0.030 (2)0.002 (2)0.0039 (19)0.006 (2)
O81B0.036 (3)0.035 (3)0.028 (2)0.003 (2)0.0022 (19)0.0008 (19)
O11A0.047 (3)0.033 (3)0.048 (3)0.007 (2)0.010 (2)0.010 (2)
O61A0.041 (3)0.033 (3)0.066 (3)0.010 (2)0.018 (2)0.009 (2)
O62A0.049 (3)0.031 (3)0.039 (3)0.006 (2)0.013 (2)0.004 (2)
O12B0.045 (3)0.041 (3)0.032 (2)0.001 (2)0.005 (2)0.009 (2)
O52B0.049 (3)0.036 (3)0.054 (3)0.012 (2)0.011 (2)0.004 (2)
O41B0.050 (3)0.028 (3)0.052 (3)0.016 (2)0.008 (2)0.007 (2)
O71A0.039 (3)0.041 (3)0.029 (2)0.000 (2)0.006 (2)0.006 (2)
O71B0.035 (3)0.034 (3)0.030 (2)0.001 (2)0.006 (2)0.0023 (19)
O32A0.048 (3)0.040 (3)0.033 (3)0.003 (3)0.015 (2)0.002 (2)
O51B0.056 (3)0.042 (3)0.034 (3)0.005 (3)0.011 (2)0.006 (2)
O53A0.024 (2)0.030 (2)0.038 (3)0.0036 (19)0.0071 (19)0.0018 (18)
O74A0.036 (2)0.027 (2)0.029 (2)0.009 (2)0.0059 (17)0.0055 (18)
O23B0.031 (2)0.031 (2)0.035 (2)0.009 (2)0.0106 (19)0.0003 (19)
O12A0.049 (3)0.043 (3)0.030 (2)0.003 (2)0.006 (2)0.011 (2)
O53B0.026 (2)0.032 (2)0.039 (3)0.0034 (19)0.0110 (19)0.0025 (19)
O61B0.038 (3)0.040 (3)0.064 (3)0.014 (2)0.016 (2)0.004 (2)
O81A0.042 (3)0.036 (3)0.031 (2)0.004 (2)0.005 (2)0.002 (2)
O31A0.048 (3)0.041 (3)0.054 (3)0.013 (3)0.018 (2)0.015 (2)
O11B0.043 (3)0.038 (3)0.052 (3)0.018 (2)0.004 (2)0.006 (2)
O21B0.046 (3)0.037 (3)0.032 (2)0.005 (2)0.011 (2)0.006 (2)
O13B0.042 (3)0.020 (2)0.041 (3)0.002 (2)0.007 (2)0.0065 (18)
O43B0.041 (3)0.027 (2)0.036 (2)0.002 (2)0.012 (2)0.0104 (18)
Mo8B0.0270 (3)0.0207 (3)0.0225 (3)0.0004 (2)0.0030 (2)0.0018 (2)
Mo6B0.0306 (3)0.0261 (3)0.0298 (3)0.0032 (2)0.0105 (2)0.0000 (2)
Mo8A0.0264 (3)0.0210 (3)0.0224 (3)0.0009 (2)0.0030 (2)0.0005 (2)
Mo7A0.0288 (3)0.0222 (3)0.0226 (3)0.0008 (2)0.0030 (2)0.0018 (2)
Mo7B0.0260 (3)0.0204 (2)0.0226 (3)0.0012 (2)0.0030 (2)0.0008 (2)
Mo5B0.0348 (3)0.0273 (3)0.0314 (3)0.0043 (3)0.0104 (2)0.0050 (2)
Mo3A0.0317 (3)0.0230 (3)0.0318 (3)0.0043 (2)0.0112 (2)0.0006 (2)
Mo3B0.0278 (3)0.0247 (3)0.0291 (3)0.0021 (2)0.0088 (2)0.0007 (2)
Mo2A0.0308 (3)0.0250 (3)0.0317 (3)0.0031 (2)0.0088 (2)0.0037 (2)
Mo2B0.0332 (3)0.0248 (3)0.0311 (3)0.0058 (2)0.0087 (2)0.0031 (2)
Mo6A0.0297 (3)0.0225 (3)0.0304 (3)0.0024 (2)0.0108 (2)0.0003 (2)
Mo4A0.0326 (3)0.0226 (3)0.0297 (3)0.0047 (2)0.0060 (2)0.0066 (2)
Mo5A0.0335 (3)0.0238 (3)0.0319 (3)0.0051 (2)0.0095 (2)0.0009 (2)
Mo4B0.0321 (3)0.0242 (3)0.0276 (3)0.0052 (2)0.0049 (2)0.0056 (2)
Mo1A0.0307 (3)0.0237 (3)0.0288 (3)0.0043 (2)0.0054 (2)0.0070 (2)
Mo1B0.0312 (3)0.0230 (3)0.0283 (3)0.0049 (2)0.0042 (2)0.0055 (2)
N1B0.048 (4)0.024 (3)0.061 (4)0.002 (3)0.004 (3)0.011 (3)
N3A0.054 (4)0.024 (3)0.053 (4)0.001 (3)0.004 (3)0.010 (3)
N3B0.071 (6)0.028 (4)0.075 (5)0.005 (4)0.007 (4)0.013 (4)
N2B0.028 (2)0.044 (3)0.043 (3)0.0034 (19)0.0096 (18)0.003 (2)
N2A0.026 (2)0.049 (3)0.044 (3)0.004 (2)0.0108 (19)0.000 (2)
N1A0.064 (5)0.031 (4)0.079 (5)0.016 (4)0.016 (4)0.020 (4)
N4A0.048 (3)0.041 (3)0.021 (2)0.002 (2)0.0058 (18)0.0018 (18)
N4B0.049 (3)0.036 (3)0.025 (2)0.001 (2)0.0092 (19)0.0042 (18)
Geometric parameters (Å, º) top
C11B—C12B1.484 (15)C15A—H15C0.9700
C11B—N1B1.506 (12)C15A—H15D0.9700
C11B—H11F0.9700C16A—H16C0.9600
C11B—H11G0.9700C16A—H16E0.9600
C12B—H12F0.9600C16A—H16D0.9600
C12B—H12H0.9600C11A—C12A1.479 (17)
C12B—H12G0.9600C11A—N1A1.534 (14)
C17B—N1B1.494 (12)C11A—H11C0.9700
C17B—C18B1.518 (16)C11A—H11D0.9700
C17B—H17G0.9700C12A—H12C0.9600
C17B—H17F0.9700C12A—H12E0.9600
C18B—H18H0.9600C12A—H12D0.9600
C18B—H18F0.9600C13A—N1A1.505 (13)
C18B—H18G0.9600C13A—C14A1.527 (15)
C13B—C14B1.506 (13)C13A—H13D0.9700
C13B—N1B1.512 (11)C13A—H13C0.9700
C13B—H13G0.9700C14A—H14E0.9600
C13B—H13F0.9700C14A—H14C0.9600
C14B—H14H0.9600C14A—H14D0.9600
C14B—H14F0.9600C17A—N1A1.485 (14)
C14B—H14G0.9600C17A—C18A1.513 (19)
C15B—C16B1.494 (13)C17A—H17D0.9700
C15B—N1B1.506 (11)C17A—H17C0.9700
C15B—H15F0.9700C18A—H18E0.9600
C15B—H15G0.9700C18A—H18C0.9600
C16B—H16F0.9600C18A—H18D0.9600
C16B—H16H0.9600C24B—H24F0.9600
C16B—H16G0.9600C24B—H24H0.9600
C37A—C38A1.508 (12)C24B—H24G0.9600
C37A—N3A1.518 (10)C24A—H24C0.9600
C37A—H37C0.9700C24A—H24D0.9600
C37A—H37D0.9700C24A—H24E0.9600
C38A—H38C0.9600O63A—Mo7A1.944 (5)
C38A—H38D0.9600O63A—Mo1A2.010 (4)
C38A—H38E0.9600O63A—Mo6A2.310 (4)
C33A—C34A1.489 (14)O63B—Mo7B1.943 (5)
C33A—N3A1.519 (12)O63B—Mo1B2.005 (5)
C33A—H33C0.9700O63B—Mo6B2.320 (4)
C33A—H33D0.9700O33A—Mo8A1.946 (5)
C34A—H34E0.9600O33A—Mo4A2.010 (5)
C34A—H34D0.9600O33A—Mo3A2.336 (5)
C34A—H34C0.9600O84B—Mo8B1.749 (5)
C31A—C32A1.522 (13)O84B—Mo2B2.246 (4)
C31A—N3A1.529 (11)O33B—Mo8B1.952 (5)
C31A—H31C0.9700O33B—Mo4B2.005 (5)
C31A—H31D0.9700O33B—Mo3B2.334 (5)
C32A—H32C0.9600O82A—Mo8A2.130 (5)
C32A—H32D0.9600O82A—Mo4A2.326 (5)
C32A—H32E0.9600O82A—Mo6A2.349 (5)
C35A—N3A1.515 (11)O82A—Mo7A2.353 (5)
C35A—C36A1.528 (14)O82A—Mo5A2.478 (5)
C35A—H35C0.9700O83A—Mo8A1.951 (5)
C35A—H35D0.9700O83A—Mo6A2.011 (5)
C36A—H36D0.9600O83A—Mo1A2.309 (4)
C36A—H36E0.9600O83B—Mo8B1.958 (5)
C36A—H36C0.9600O83B—Mo6B1.995 (5)
C31B—C32B1.489 (14)O83B—Mo1B2.340 (4)
C31B—N3B1.550 (13)O72A—Mo7A2.142 (5)
C31B—H31F0.9700O72A—Mo1A2.312 (5)
C31B—H31G0.9700O72A—Mo3A2.350 (5)
C32B—H32F0.9600O72A—Mo8A2.363 (4)
C32B—H32G0.9600O72A—Mo2A2.478 (5)
C32B—H32H0.9600O82B—Mo8B2.108 (5)
C36B—C35B1.470 (15)O82B—Mo4B2.338 (5)
C36B—H36G0.9600O82B—Mo7B2.347 (5)
C36B—H36H0.9600O82B—Mo6B2.385 (5)
C36B—H36F0.9600O82B—Mo5B2.454 (5)
C35B—N3B1.514 (13)O21A—Mo2A1.719 (5)
C35B—H35F0.9700O74B—Mo7B1.759 (5)
C35B—H35G0.9700O74B—Mo5B2.240 (4)
C33B—C34B1.474 (16)O22A—Mo2A1.692 (5)
C33B—N3B1.506 (14)O42B—Mo4B1.702 (5)
C33B—H33F0.9700O73A—Mo7A1.944 (5)
C33B—H33G0.9700O73A—Mo3A2.004 (5)
C34B—H34H0.9600O73A—Mo4A2.314 (4)
C34B—H34G0.9600O72B—Mo7B2.125 (5)
C34B—H34F0.9600O72B—Mo1B2.338 (5)
C38B—C37B1.520 (14)O72B—Mo8B2.359 (4)
C38B—H38F0.9600O72B—Mo3B2.384 (5)
C38B—H38G0.9600O72B—Mo2B2.426 (5)
C38B—H38H0.9600O51A—Mo5A1.704 (5)
C37B—N3B1.502 (11)O73B—Mo7B1.953 (5)
C37B—H37G0.9700O73B—Mo3B2.003 (5)
C37B—H37F0.9700O73B—Mo4B2.325 (4)
C26B—C25B1.492 (12)O32B—Mo3B1.697 (5)
C26B—H26H0.9600O41A—Mo4A1.691 (5)
C26B—H26F0.9600O31B—Mo3B1.688 (5)
C26B—H26G0.9600O52A—Mo5A1.700 (5)
C25B—N2B1.544 (10)O84A—Mo8A1.746 (5)
C25B—H25G0.9700O84A—Mo2A2.239 (4)
C25B—H25F0.9700O13A—Mo1A1.894 (5)
C27B—N2B1.498 (10)O13A—Mo2A1.919 (5)
C27B—C28B1.522 (12)O22B—Mo2B1.697 (5)
C27B—H27F0.9700O43A—Mo4A1.892 (5)
C27B—H27G0.9700O43A—Mo5A1.929 (5)
C28B—H28G0.9600O23A—Mo3A1.901 (5)
C28B—H28F0.9600O23A—Mo2A1.915 (5)
C28B—H28H0.9600O62B—Mo6B1.713 (5)
C21B—N2B1.498 (10)O42A—Mo4A1.704 (5)
C21B—C22B1.505 (13)O81B—Mo8B1.692 (5)
C21B—H21F0.9700O11A—Mo1A1.697 (5)
C21B—H21G0.9700O61A—Mo6A1.699 (5)
C22B—H22G0.9600O62A—Mo6A1.712 (5)
C22B—H22H0.9600O12B—Mo1B1.718 (5)
C22B—H22F0.9600O52B—Mo5B1.691 (5)
C23B—C24B1.513 (13)O41B—Mo4B1.686 (5)
C23B—N2B1.521 (11)O71A—Mo7A1.700 (5)
C23B—H23F0.9700O71B—Mo7B1.697 (5)
C23B—H23G0.9700O32A—Mo3A1.698 (5)
C25A—N2A1.524 (10)O51B—Mo5B1.705 (5)
C25A—C26A1.529 (13)O53A—Mo6A1.887 (5)
C25A—H25D0.9700O53A—Mo5A1.918 (5)
C25A—H25C0.9700O74A—Mo7A1.741 (5)
C26A—H26E0.9600O74A—Mo5A2.274 (4)
C26A—H26D0.9600O23B—Mo3B1.896 (5)
C26A—H26C0.9600O23B—Mo2B1.907 (5)
C27A—N2A1.483 (10)O12A—Mo1A1.713 (5)
C27A—C28A1.527 (12)O53B—Mo6B1.891 (5)
C27A—H27D0.9700O53B—Mo5B1.922 (5)
C27A—H27C0.9700O61B—Mo6B1.691 (5)
C28A—H28D0.9600O81A—Mo8A1.690 (5)
C28A—H28E0.9600O31A—Mo3A1.691 (5)
C28A—H28C0.9600O11B—Mo1B1.707 (5)
C21A—C22A1.484 (13)O21B—Mo2B1.716 (5)
C21A—N2A1.512 (11)O13B—Mo1B1.877 (5)
C21A—H21C0.9700O13B—Mo2B1.937 (5)
C21A—H21D0.9700O43B—Mo4B1.882 (5)
C22A—H22D0.9600O43B—Mo5B1.939 (5)
C22A—H22C0.9600N4A—H1N0.82
C22A—H22E0.9600N4A—H2N0.96
C23A—N2A1.514 (10)N4A—H3N0.73
C23A—C24A1.539 (13)N4A—H4N0.96
C23A—H23C0.9700N4B—H5N0.85
C23A—H23D0.9700N4B—H6N0.95
C15A—C16A1.488 (15)N4B—H7N0.97
C15A—N1A1.492 (13)N4B—H8N0.96
C12B—C11B—N1B116.2 (8)Mo8A—O72A—Mo2A90.99 (16)
C12B—C11B—H11F108.2Mo8B—O82B—Mo4B92.95 (19)
N1B—C11B—H11F108.2Mo8B—O82B—Mo7B104.55 (18)
C12B—C11B—H11G108.2Mo4B—O82B—Mo7B97.53 (19)
N1B—C11B—H11G108.2Mo8B—O82B—Mo6B92.2 (2)
H11F—C11B—H11G107.4Mo4B—O82B—Mo6B163.2 (2)
C11B—C12B—H12F109.5Mo7B—O82B—Mo6B96.67 (18)
C11B—C12B—H12H109.5Mo8B—O82B—Mo5B164.2 (2)
H12F—C12B—H12H109.5Mo4B—O82B—Mo5B85.87 (17)
C11B—C12B—H12G109.5Mo7B—O82B—Mo5B91.23 (17)
H12F—C12B—H12G109.5Mo6B—O82B—Mo5B84.84 (15)
H12H—C12B—H12G109.5Mo7B—O74B—Mo5B117.8 (2)
N1B—C17B—C18B117.4 (8)Mo7A—O73A—Mo3A110.3 (2)
N1B—C17B—H17G108.0Mo7A—O73A—Mo4A110.8 (2)
C18B—C17B—H17G108.0Mo3A—O73A—Mo4A104.0 (2)
N1B—C17B—H17F108.0Mo7B—O72B—Mo1B92.30 (18)
C18B—C17B—H17F108.0Mo7B—O72B—Mo8B103.61 (17)
H17G—C17B—H17F107.2Mo1B—O72B—Mo8B97.42 (18)
C17B—C18B—H18H109.5Mo7B—O72B—Mo3B91.93 (19)
C17B—C18B—H18F109.5Mo1B—O72B—Mo3B164.1 (2)
H18H—C18B—H18F109.5Mo8B—O72B—Mo3B96.50 (17)
C17B—C18B—H18G109.5Mo7B—O72B—Mo2B164.5 (2)
H18H—C18B—H18G109.5Mo1B—O72B—Mo2B86.48 (17)
H18F—C18B—H18G109.5Mo8B—O72B—Mo2B91.86 (16)
C14B—C13B—N1B116.7 (9)Mo3B—O72B—Mo2B85.35 (15)
C14B—C13B—H13G108.1Mo7B—O73B—Mo3B110.3 (2)
N1B—C13B—H13G108.1Mo7B—O73B—Mo4B110.6 (2)
C14B—C13B—H13F108.1Mo3B—O73B—Mo4B103.31 (19)
N1B—C13B—H13F108.1Mo8A—O84A—Mo2A119.6 (2)
H13G—C13B—H13F107.3Mo1A—O13A—Mo2A118.4 (3)
C13B—C14B—H14H109.5Mo4A—O43A—Mo5A117.6 (3)
C13B—C14B—H14F109.5Mo3A—O23A—Mo2A117.5 (3)
H14H—C14B—H14F109.5Mo6A—O53A—Mo5A117.8 (2)
C13B—C14B—H14G109.5Mo7A—O74A—Mo5A118.3 (2)
H14H—C14B—H14G109.5Mo3B—O23B—Mo2B118.0 (3)
H14F—C14B—H14G109.5Mo6B—O53B—Mo5B117.8 (3)
C16B—C15B—N1B118.1 (8)Mo1B—O13B—Mo2B117.7 (3)
C16B—C15B—H15F107.8Mo4B—O43B—Mo5B117.4 (3)
N1B—C15B—H15F107.8O81B—Mo8B—O84B104.9 (2)
C16B—C15B—H15G107.8O81B—Mo8B—O33B101.1 (2)
N1B—C15B—H15G107.8O84B—Mo8B—O33B96.0 (2)
H15F—C15B—H15G107.1O81B—Mo8B—O83B100.7 (2)
C15B—C16B—H16F109.5O84B—Mo8B—O83B96.4 (2)
C15B—C16B—H16H109.5O33B—Mo8B—O83B151.2 (2)
H16F—C16B—H16H109.5O81B—Mo8B—O82B99.2 (2)
C15B—C16B—H16G109.5O84B—Mo8B—O82B155.90 (19)
H16F—C16B—H16G109.5O33B—Mo8B—O82B78.9 (2)
H16H—C16B—H16G109.5O83B—Mo8B—O82B79.2 (2)
C38A—C37A—N3A115.5 (7)O81B—Mo8B—O72B175.1 (2)
C38A—C37A—H37C108.4O84B—Mo8B—O72B79.96 (19)
N3A—C37A—H37C108.4O33B—Mo8B—O72B78.62 (19)
C38A—C37A—H37D108.4O83B—Mo8B—O72B78.13 (18)
N3A—C37A—H37D108.4O82B—Mo8B—O72B75.94 (17)
H37C—C37A—H37D107.5O61B—Mo6B—O62B104.9 (3)
C37A—C38A—H38C109.5O61B—Mo6B—O53B102.8 (2)
C37A—C38A—H38D109.5O62B—Mo6B—O53B100.6 (3)
H38C—C38A—H38D109.5O61B—Mo6B—O83B101.2 (2)
C37A—C38A—H38E109.5O62B—Mo6B—O83B96.8 (2)
H38C—C38A—H38E109.5O53B—Mo6B—O83B145.5 (2)
H38D—C38A—H38E109.5O61B—Mo6B—O63B90.6 (2)
C34A—C33A—N3A115.5 (8)O62B—Mo6B—O63B162.4 (2)
C34A—C33A—H33C108.4O53B—Mo6B—O63B83.6 (2)
N3A—C33A—H33C108.4O83B—Mo6B—O63B71.70 (18)
C34A—C33A—H33D108.4O61B—Mo6B—O82B161.2 (2)
N3A—C33A—H33D108.4O62B—Mo6B—O82B93.4 (2)
H33C—C33A—H33D107.5O53B—Mo6B—O82B77.33 (19)
C33A—C34A—H34E109.5O83B—Mo6B—O82B72.02 (19)
C33A—C34A—H34D109.5O63B—Mo6B—O82B70.63 (16)
H34E—C34A—H34D109.5O81A—Mo8A—O84A104.8 (2)
C33A—C34A—H34C109.5O81A—Mo8A—O33A101.1 (2)
H34E—C34A—H34C109.5O84A—Mo8A—O33A96.5 (2)
H34D—C34A—H34C109.5O81A—Mo8A—O83A101.3 (2)
C32A—C31A—N3A114.1 (8)O84A—Mo8A—O83A96.2 (2)
C32A—C31A—H31C108.7O33A—Mo8A—O83A150.4 (2)
N3A—C31A—H31C108.7O81A—Mo8A—O82A99.6 (2)
C32A—C31A—H31D108.7O84A—Mo8A—O82A155.6 (2)
N3A—C31A—H31D108.7O33A—Mo8A—O82A78.7 (2)
H31C—C31A—H31D107.6O83A—Mo8A—O82A78.7 (2)
C31A—C32A—H32C109.5O81A—Mo8A—O72A175.1 (2)
C31A—C32A—H32D109.5O84A—Mo8A—O72A80.1 (2)
H32C—C32A—H32D109.5O33A—Mo8A—O72A78.68 (19)
C31A—C32A—H32E109.5O83A—Mo8A—O72A77.38 (18)
H32C—C32A—H32E109.5O82A—Mo8A—O72A75.50 (17)
H32D—C32A—H32E109.5O71A—Mo7A—O74A103.9 (2)
N3A—C35A—C36A115.2 (8)O71A—Mo7A—O63A101.5 (2)
N3A—C35A—H35C108.5O74A—Mo7A—O63A96.8 (2)
C36A—C35A—H35C108.5O71A—Mo7A—O73A101.5 (2)
N3A—C35A—H35D108.5O74A—Mo7A—O73A96.7 (2)
C36A—C35A—H35D108.5O63A—Mo7A—O73A149.6 (2)
H35C—C35A—H35D107.5O71A—Mo7A—O72A99.4 (2)
C35A—C36A—H36D109.5O74A—Mo7A—O72A156.68 (18)
C35A—C36A—H36E109.5O63A—Mo7A—O72A78.36 (19)
H36D—C36A—H36E109.5O73A—Mo7A—O72A78.47 (19)
C35A—C36A—H36C109.5O71A—Mo7A—O82A174.9 (2)
H36D—C36A—H36C109.5O74A—Mo7A—O82A81.16 (19)
H36E—C36A—H36C109.5O63A—Mo7A—O82A77.95 (19)
C32B—C31B—N3B115.2 (10)O73A—Mo7A—O82A77.35 (19)
C32B—C31B—H31F108.5O72A—Mo7A—O82A75.52 (16)
N3B—C31B—H31F108.5O71B—Mo7B—O74B103.5 (2)
C32B—C31B—H31G108.5O71B—Mo7B—O63B102.2 (2)
N3B—C31B—H31G108.5O74B—Mo7B—O63B96.2 (2)
H31F—C31B—H31G107.5O71B—Mo7B—O73B100.7 (2)
C31B—C32B—H32F109.5O74B—Mo7B—O73B96.2 (2)
C31B—C32B—H32G109.5O63B—Mo7B—O73B150.6 (2)
H32F—C32B—H32G109.5O71B—Mo7B—O72B99.7 (2)
C31B—C32B—H32H109.5O74B—Mo7B—O72B156.80 (18)
H32F—C32B—H32H109.5O63B—Mo7B—O72B78.9 (2)
H32G—C32B—H32H109.5O73B—Mo7B—O72B79.3 (2)
C35B—C36B—H36G109.5O71B—Mo7B—O82B175.5 (2)
C35B—C36B—H36H109.5O74B—Mo7B—O82B80.90 (19)
H36G—C36B—H36H109.5O63B—Mo7B—O82B78.08 (19)
C35B—C36B—H36F109.5O73B—Mo7B—O82B77.73 (19)
H36G—C36B—H36F109.5O72B—Mo7B—O82B75.89 (16)
H36H—C36B—H36F109.5O52B—Mo5B—O51B104.8 (3)
C36B—C35B—N3B118.3 (10)O52B—Mo5B—O53B104.0 (2)
C36B—C35B—H35F107.7O51B—Mo5B—O53B97.6 (3)
N3B—C35B—H35F107.7O52B—Mo5B—O43B101.5 (2)
C36B—C35B—H35G107.7O51B—Mo5B—O43B97.2 (2)
N3B—C35B—H35G107.7O53B—Mo5B—O43B145.9 (2)
H35F—C35B—H35G107.1O52B—Mo5B—O74B92.9 (2)
C34B—C33B—N3B115.5 (10)O51B—Mo5B—O74B162.2 (2)
C34B—C33B—H33F108.4O53B—Mo5B—O74B78.6 (2)
N3B—C33B—H33F108.4O43B—Mo5B—O74B77.98 (19)
C34B—C33B—H33G108.4O52B—Mo5B—O82B162.9 (2)
N3B—C33B—H33G108.4O51B—Mo5B—O82B92.1 (2)
H33F—C33B—H33G107.5O53B—Mo5B—O82B75.04 (19)
C33B—C34B—H34H109.5O43B—Mo5B—O82B73.9 (2)
C33B—C34B—H34G109.5O74B—Mo5B—O82B70.10 (17)
H34H—C34B—H34G109.5O31A—Mo3A—O32A104.3 (3)
C33B—C34B—H34F109.5O31A—Mo3A—O23A102.5 (2)
H34H—C34B—H34F109.5O32A—Mo3A—O23A100.7 (2)
H34G—C34B—H34F109.5O31A—Mo3A—O73A100.6 (2)
C37B—C38B—H38F109.5O32A—Mo3A—O73A97.3 (2)
C37B—C38B—H38G109.5O23A—Mo3A—O73A145.9 (2)
H38F—C38B—H38G109.5O31A—Mo3A—O33A90.2 (2)
C37B—C38B—H38H109.5O32A—Mo3A—O33A163.3 (2)
H38F—C38B—H38H109.5O23A—Mo3A—O33A83.7 (2)
H38G—C38B—H38H109.5O73A—Mo3A—O33A71.56 (18)
N3B—C37B—C38B115.6 (9)O31A—Mo3A—O72A162.0 (2)
N3B—C37B—H37G108.4O32A—Mo3A—O72A93.2 (2)
C38B—C37B—H37G108.4O23A—Mo3A—O72A77.9 (2)
N3B—C37B—H37F108.4O73A—Mo3A—O72A72.48 (19)
C38B—C37B—H37F108.4O33A—Mo3A—O72A71.89 (15)
H37G—C37B—H37F107.4O31B—Mo3B—O32B104.8 (3)
C25B—C26B—H26H109.5O31B—Mo3B—O23B103.6 (2)
C25B—C26B—H26F109.5O32B—Mo3B—O23B100.6 (2)
H26H—C26B—H26F109.5O31B—Mo3B—O73B101.1 (2)
C25B—C26B—H26G109.5O32B—Mo3B—O73B96.8 (2)
H26H—C26B—H26G109.5O23B—Mo3B—O73B144.9 (2)
H26F—C26B—H26G109.5O31B—Mo3B—O33B89.9 (2)
C26B—C25B—N2B116.5 (7)O32B—Mo3B—O33B163.0 (2)
C26B—C25B—H25G108.2O23B—Mo3B—O33B83.64 (19)
N2B—C25B—H25G108.2O73B—Mo3B—O33B71.68 (17)
C26B—C25B—H25F108.2O31B—Mo3B—O72B161.2 (2)
N2B—C25B—H25F108.2O32B—Mo3B—O72B93.6 (2)
H25G—C25B—H25F107.3O23B—Mo3B—O72B76.43 (19)
N2B—C27B—C28B115.2 (7)O73B—Mo3B—O72B72.24 (18)
N2B—C27B—H27F108.5O33B—Mo3B—O72B71.28 (16)
C28B—C27B—H27F108.5O22A—Mo2A—O21A104.5 (3)
N2B—C27B—H27G108.5O22A—Mo2A—O23A103.8 (2)
C28B—C27B—H27G108.5O21A—Mo2A—O23A97.7 (2)
H27F—C27B—H27G107.5O22A—Mo2A—O13A102.7 (2)
C27B—C28B—H28G109.5O21A—Mo2A—O13A97.6 (2)
C27B—C28B—H28F109.5O23A—Mo2A—O13A144.8 (2)
H28G—C28B—H28F109.5O22A—Mo2A—O84A93.3 (2)
C27B—C28B—H28H109.5O21A—Mo2A—O84A162.3 (2)
H28G—C28B—H28H109.5O23A—Mo2A—O84A77.75 (19)
H28F—C28B—H28H109.5O13A—Mo2A—O84A78.04 (18)
N2B—C21B—C22B113.5 (7)O22A—Mo2A—O72A162.5 (2)
N2B—C21B—H21F108.9O21A—Mo2A—O72A93.0 (2)
C22B—C21B—H21F108.9O23A—Mo2A—O72A74.42 (19)
N2B—C21B—H21G108.9O13A—Mo2A—O72A73.28 (19)
C22B—C21B—H21G108.9O84A—Mo2A—O72A69.23 (16)
H21F—C21B—H21G107.7O22B—Mo2B—O21B104.4 (3)
C21B—C22B—H22G109.5O22B—Mo2B—O23B104.5 (2)
C21B—C22B—H22H109.5O21B—Mo2B—O23B97.4 (2)
H22G—C22B—H22H109.5O22B—Mo2B—O13B101.1 (2)
C21B—C22B—H22F109.5O21B—Mo2B—O13B97.3 (2)
H22G—C22B—H22F109.5O23B—Mo2B—O13B146.1 (2)
H22H—C22B—H22F109.5O22B—Mo2B—O84B93.8 (2)
C24B—C23B—N2B115.6 (7)O21B—Mo2B—O84B161.8 (2)
C24B—C23B—H23F108.4O23B—Mo2B—O84B78.25 (19)
N2B—C23B—H23F108.4O13B—Mo2B—O84B78.25 (19)
C24B—C23B—H23G108.4O22B—Mo2B—O72B163.6 (2)
N2B—C23B—H23G108.4O21B—Mo2B—O72B91.9 (2)
H23F—C23B—H23G107.4O23B—Mo2B—O72B75.19 (19)
N2A—C25A—C26A113.0 (7)O13B—Mo2B—O72B73.91 (19)
N2A—C25A—H25D109.0O84B—Mo2B—O72B69.90 (17)
C26A—C25A—H25D109.0O61A—Mo6A—O62A104.8 (3)
N2A—C25A—H25C109.0O61A—Mo6A—O53A102.6 (2)
C26A—C25A—H25C109.0O62A—Mo6A—O53A101.3 (2)
H25D—C25A—H25C107.8O61A—Mo6A—O83A100.5 (2)
C25A—C26A—H26E109.5O62A—Mo6A—O83A95.9 (2)
C25A—C26A—H26D109.5O53A—Mo6A—O83A146.5 (2)
H26E—C26A—H26D109.5O61A—Mo6A—O63A89.9 (2)
C25A—C26A—H26C109.5O62A—Mo6A—O63A162.5 (2)
H26E—C26A—H26C109.5O53A—Mo6A—O63A84.21 (19)
H26D—C26A—H26C109.5O83A—Mo6A—O63A71.80 (17)
N2A—C27A—C28A113.9 (7)O61A—Mo6A—O82A161.3 (2)
N2A—C27A—H27D108.8O62A—Mo6A—O82A93.3 (2)
C28A—C27A—H27D108.8O53A—Mo6A—O82A77.9 (2)
N2A—C27A—H27C108.8O83A—Mo6A—O82A72.50 (19)
C28A—C27A—H27C108.8O63A—Mo6A—O82A71.48 (16)
H27D—C27A—H27C107.7O41A—Mo4A—O42A105.2 (3)
C27A—C28A—H28D109.5O41A—Mo4A—O43A101.5 (2)
C27A—C28A—H28E109.5O42A—Mo4A—O43A100.9 (2)
H28D—C28A—H28E109.5O41A—Mo4A—O33A100.8 (2)
C27A—C28A—H28C109.5O42A—Mo4A—O33A95.7 (2)
H28D—C28A—H28C109.5O43A—Mo4A—O33A147.6 (2)
H28E—C28A—H28C109.5O41A—Mo4A—O73A89.0 (2)
C22A—C21A—N2A115.3 (7)O42A—Mo4A—O73A162.9 (2)
C22A—C21A—H21C108.5O43A—Mo4A—O73A85.17 (18)
N2A—C21A—H21C108.5O33A—Mo4A—O73A71.93 (18)
C22A—C21A—H21D108.5O41A—Mo4A—O82A160.3 (2)
N2A—C21A—H21D108.5O42A—Mo4A—O82A94.1 (2)
H21C—C21A—H21D107.5O43A—Mo4A—O82A78.2 (2)
C21A—C22A—H22D109.5O33A—Mo4A—O82A72.90 (19)
C21A—C22A—H22C109.5O73A—Mo4A—O82A71.28 (17)
H22D—C22A—H22C109.5O52A—Mo5A—O51A103.6 (3)
C21A—C22A—H22E109.5O52A—Mo5A—O53A104.0 (2)
H22D—C22A—H22E109.5O51A—Mo5A—O53A98.3 (3)
H22C—C22A—H22E109.5O52A—Mo5A—O43A102.3 (3)
N2A—C23A—C24A116.1 (7)O51A—Mo5A—O43A97.8 (2)
N2A—C23A—H23C108.3O53A—Mo5A—O43A144.8 (2)
C24A—C23A—H23C108.3O52A—Mo5A—O74A93.7 (2)
N2A—C23A—H23D108.3O51A—Mo5A—O74A162.7 (2)
C24A—C23A—H23D108.3O53A—Mo5A—O74A77.6 (2)
H23C—C23A—H23D107.4O43A—Mo5A—O74A77.75 (19)
C16A—C15A—N1A117.9 (9)O52A—Mo5A—O82A162.9 (2)
C16A—C15A—H15C107.8O51A—Mo5A—O82A93.5 (2)
N1A—C15A—H15C107.8O53A—Mo5A—O82A74.16 (19)
C16A—C15A—H15D107.8O43A—Mo5A—O82A73.80 (19)
N1A—C15A—H15D107.8O74A—Mo5A—O82A69.19 (17)
H15C—C15A—H15D107.2O41B—Mo4B—O42B105.0 (3)
C15A—C16A—H16C109.5O41B—Mo4B—O43B101.6 (2)
C15A—C16A—H16E109.5O42B—Mo4B—O43B101.9 (2)
H16C—C16A—H16E109.5O41B—Mo4B—O33B100.9 (2)
C15A—C16A—H16D109.5O42B—Mo4B—O33B96.2 (2)
H16C—C16A—H16D109.5O43B—Mo4B—O33B146.3 (2)
H16E—C16A—H16D109.5O41B—Mo4B—O73B88.6 (2)
C12A—C11A—N1A116.7 (9)O42B—Mo4B—O73B163.6 (2)
C12A—C11A—H11C108.1O43B—Mo4B—O73B83.92 (18)
N1A—C11A—H11C108.1O33B—Mo4B—O73B71.83 (18)
C12A—C11A—H11D108.1O41B—Mo4B—O82B159.8 (2)
N1A—C11A—H11D108.1O42B—Mo4B—O82B94.8 (2)
H11C—C11A—H11D107.3O43B—Mo4B—O82B77.8 (2)
C11A—C12A—H12C109.5O33B—Mo4B—O82B72.50 (19)
C11A—C12A—H12E109.5O73B—Mo4B—O82B71.24 (17)
H12C—C12A—H12E109.5O11A—Mo1A—O12A104.1 (3)
C11A—C12A—H12D109.5O11A—Mo1A—O13A101.9 (2)
H12C—C12A—H12D109.5O12A—Mo1A—O13A100.9 (2)
H12E—C12A—H12D109.5O11A—Mo1A—O63A100.7 (2)
N1A—C13A—C14A116.4 (10)O12A—Mo1A—O63A96.3 (2)
N1A—C13A—H13D108.2O13A—Mo1A—O63A147.19 (19)
C14A—C13A—H13D108.2O11A—Mo1A—O83A88.9 (2)
N1A—C13A—H13C108.2O12A—Mo1A—O83A164.0 (2)
C14A—C13A—H13C108.2O13A—Mo1A—O83A85.05 (17)
H13D—C13A—H13C107.3O63A—Mo1A—O83A71.83 (18)
C13A—C14A—H14E109.5O11A—Mo1A—O72A160.9 (2)
C13A—C14A—H14C109.5O12A—Mo1A—O72A94.6 (2)
H14E—C14A—H14C109.5O13A—Mo1A—O72A77.85 (19)
C13A—C14A—H14D109.5O63A—Mo1A—O72A73.11 (18)
H14E—C14A—H14D109.5O83A—Mo1A—O72A72.01 (16)
H14C—C14A—H14D109.5O11B—Mo1B—O12B104.1 (3)
N1A—C17A—C18A115.2 (12)O11B—Mo1B—O13B101.7 (2)
N1A—C17A—H17D108.5O12B—Mo1B—O13B101.7 (2)
C18A—C17A—H17D108.5O11B—Mo1B—O63B101.6 (2)
N1A—C17A—H17C108.5O12B—Mo1B—O63B96.7 (2)
C18A—C17A—H17C108.5O13B—Mo1B—O63B145.7 (2)
H17D—C17A—H17C107.5O11B—Mo1B—O72B161.0 (2)
C17A—C18A—H18E109.5O12B—Mo1B—O72B94.7 (2)
C17A—C18A—H18C109.5O13B—Mo1B—O72B77.12 (19)
H18E—C18A—H18C109.5O63B—Mo1B—O72B72.69 (18)
C17A—C18A—H18D109.5O11B—Mo1B—O83B89.3 (2)
H18E—C18A—H18D109.5O12B—Mo1B—O83B163.6 (2)
H18C—C18A—H18D109.5O13B—Mo1B—O83B84.36 (19)
C23B—C24B—H24F109.5O63B—Mo1B—O83B71.08 (19)
C23B—C24B—H24H109.5O72B—Mo1B—O83B71.64 (16)
H24F—C24B—H24H109.5C17B—N1B—C15B111.4 (8)
C23B—C24B—H24G109.5C17B—N1B—C11B104.8 (7)
H24F—C24B—H24G109.5C15B—N1B—C11B111.5 (8)
H24H—C24B—H24G109.5C17B—N1B—C13B111.5 (7)
C23A—C24A—H24C109.5C15B—N1B—C13B106.3 (7)
C23A—C24A—H24D109.5C11B—N1B—C13B111.5 (8)
H24C—C24A—H24D109.5C35A—N3A—C37A112.5 (7)
C23A—C24A—H24E109.5C35A—N3A—C33A105.0 (7)
H24C—C24A—H24E109.5C37A—N3A—C33A111.3 (7)
H24D—C24A—H24E109.5C35A—N3A—C31A110.1 (7)
Mo7A—O63A—Mo1A109.4 (2)C37A—N3A—C31A106.3 (6)
Mo7A—O63A—Mo6A110.9 (2)C33A—N3A—C31A111.8 (8)
Mo1A—O63A—Mo6A103.5 (2)C37B—N3B—C33B110.7 (8)
Mo7B—O63B—Mo1B109.4 (2)C37B—N3B—C35B111.9 (9)
Mo7B—O63B—Mo6B111.7 (2)C33B—N3B—C35B106.5 (8)
Mo1B—O63B—Mo6B103.7 (2)C37B—N3B—C31B103.9 (7)
Mo8A—O33A—Mo4A109.4 (2)C33B—N3B—C31B113.4 (8)
Mo8A—O33A—Mo3A110.1 (2)C35B—N3B—C31B110.4 (9)
Mo4A—O33A—Mo3A103.0 (2)C21B—N2B—C27B113.1 (7)
Mo8B—O84B—Mo2B118.3 (2)C21B—N2B—C23B105.9 (6)
Mo8B—O33B—Mo4B109.3 (2)C27B—N2B—C23B111.8 (7)
Mo8B—O33B—Mo3B111.0 (2)C21B—N2B—C25B109.5 (6)
Mo4B—O33B—Mo3B102.9 (2)C27B—N2B—C25B106.6 (6)
Mo8A—O82A—Mo4A92.75 (19)C23B—N2B—C25B109.9 (7)
Mo8A—O82A—Mo6A92.6 (2)C27A—N2A—C21A112.8 (7)
Mo4A—O82A—Mo6A163.4 (2)C27A—N2A—C23A110.4 (6)
Mo8A—O82A—Mo7A104.85 (18)C21A—N2A—C23A105.5 (6)
Mo4A—O82A—Mo7A97.27 (19)C27A—N2A—C25A106.0 (6)
Mo6A—O82A—Mo7A96.56 (18)C21A—N2A—C25A110.9 (7)
Mo8A—O82A—Mo5A163.8 (2)C23A—N2A—C25A111.4 (7)
Mo4A—O82A—Mo5A85.64 (17)C17A—N1A—C15A111.1 (9)
Mo6A—O82A—Mo5A84.87 (16)C17A—N1A—C13A114.9 (9)
Mo7A—O82A—Mo5A91.37 (18)C15A—N1A—C13A104.8 (8)
Mo8A—O83A—Mo6A109.7 (2)C17A—N1A—C11A104.3 (9)
Mo8A—O83A—Mo1A110.5 (2)C15A—N1A—C11A111.2 (9)
Mo6A—O83A—Mo1A103.5 (2)C13A—N1A—C11A110.7 (9)
Mo8B—O83B—Mo6B110.2 (2)H1N—N4A—H2N112
Mo8B—O83B—Mo1B110.1 (2)H1N—N4A—H3N100
Mo6B—O83B—Mo1B103.3 (2)H2N—N4A—H3N104
Mo7A—O72A—Mo1A92.79 (17)H1N—N4A—H4N117
Mo7A—O72A—Mo3A92.2 (2)H2N—N4A—H4N116
Mo1A—O72A—Mo3A163.9 (2)H3N—N4A—H4N106
Mo7A—O72A—Mo8A104.12 (18)H5N—N4B—H6N105
Mo1A—O72A—Mo8A97.16 (18)H5N—N4B—H7N117
Mo3A—O72A—Mo8A96.48 (17)H6N—N4B—H7N102
Mo7A—O72A—Mo2A164.9 (2)H5N—N4B—H8N101
Mo1A—O72A—Mo2A86.17 (17)H6N—N4B—H8N117
Mo3A—O72A—Mo2A85.00 (15)H7N—N4B—H8N115
Mo2B—O84B—Mo8B—O81B179.8 (3)Mo8B—O72B—Mo3B—O32B177.3 (2)
Mo2B—O84B—Mo8B—O33B76.7 (3)Mo2B—O72B—Mo3B—O32B85.9 (2)
Mo2B—O84B—Mo8B—O83B77.3 (3)Mo7B—O72B—Mo3B—O23B178.8 (2)
Mo2B—O84B—Mo8B—O82B0.6 (7)Mo1B—O72B—Mo3B—O23B73.5 (9)
Mo2B—O84B—Mo8B—O72B0.6 (2)Mo8B—O72B—Mo3B—O23B77.2 (2)
Mo4B—O33B—Mo8B—O81B75.5 (3)Mo2B—O72B—Mo3B—O23B14.12 (17)
Mo3B—O33B—Mo8B—O81B171.6 (2)Mo7B—O72B—Mo3B—O73B17.25 (16)
Mo4B—O33B—Mo8B—O84B178.0 (2)Mo1B—O72B—Mo3B—O73B122.6 (9)
Mo3B—O33B—Mo8B—O84B65.1 (2)Mo8B—O72B—Mo3B—O73B86.68 (18)
Mo4B—O33B—Mo8B—O83B62.8 (5)Mo2B—O72B—Mo3B—O73B178.03 (19)
Mo3B—O33B—Mo8B—O83B50.0 (5)Mo7B—O72B—Mo3B—O33B93.37 (17)
Mo4B—O33B—Mo8B—O82B21.8 (2)Mo1B—O72B—Mo3B—O33B161.3 (9)
Mo3B—O33B—Mo8B—O82B91.0 (2)Mo8B—O72B—Mo3B—O33B10.57 (15)
Mo4B—O33B—Mo8B—O72B99.5 (2)Mo2B—O72B—Mo3B—O33B101.92 (17)
Mo3B—O33B—Mo8B—O72B13.32 (19)Mo3A—O23A—Mo2A—O22A177.8 (3)
Mo6B—O83B—Mo8B—O81B75.3 (3)Mo3A—O23A—Mo2A—O21A70.7 (3)
Mo1B—O83B—Mo8B—O81B171.5 (2)Mo3A—O23A—Mo2A—O13A44.3 (5)
Mo6B—O83B—Mo8B—O84B178.2 (2)Mo3A—O23A—Mo2A—O84A91.8 (3)
Mo1B—O83B—Mo8B—O84B64.9 (3)Mo3A—O23A—Mo2A—O72A20.3 (2)
Mo6B—O83B—Mo8B—O33B63.2 (5)Mo1A—O13A—Mo2A—O22A179.1 (3)
Mo1B—O83B—Mo8B—O33B50.1 (5)Mo1A—O13A—Mo2A—O21A72.3 (3)
Mo6B—O83B—Mo8B—O82B22.2 (2)Mo1A—O13A—Mo2A—O23A42.8 (5)
Mo1B—O83B—Mo8B—O82B91.1 (2)Mo1A—O13A—Mo2A—O84A90.2 (3)
Mo6B—O83B—Mo8B—O72B99.9 (2)Mo1A—O13A—Mo2A—O72A18.6 (2)
Mo1B—O83B—Mo8B—O72B13.35 (19)Mo8A—O84A—Mo2A—O22A179.7 (3)
Mo4B—O82B—Mo8B—O81B82.0 (2)Mo8A—O84A—Mo2A—O21A0.1 (9)
Mo7B—O82B—Mo8B—O81B179.4 (2)Mo8A—O84A—Mo2A—O23A76.9 (3)
Mo6B—O82B—Mo8B—O81B82.0 (2)Mo8A—O84A—Mo2A—O13A77.3 (3)
Mo5B—O82B—Mo8B—O81B3.3 (10)Mo8A—O84A—Mo2A—O72A0.9 (2)
Mo4B—O82B—Mo8B—O84B97.2 (5)Mo7A—O72A—Mo2A—O22A179.0 (8)
Mo7B—O82B—Mo8B—O84B1.3 (6)Mo1A—O72A—Mo2A—O22A92.5 (7)
Mo6B—O82B—Mo8B—O84B98.8 (5)Mo3A—O72A—Mo2A—O22A101.0 (7)
Mo5B—O82B—Mo8B—O84B177.5 (7)Mo8A—O72A—Mo2A—O22A4.6 (8)
Mo4B—O82B—Mo8B—O33B17.54 (16)Mo7A—O72A—Mo2A—O21A2.8 (10)
Mo7B—O82B—Mo8B—O33B81.0 (2)Mo1A—O72A—Mo2A—O21A83.7 (2)
Mo6B—O82B—Mo8B—O33B178.5 (2)Mo3A—O72A—Mo2A—O21A82.7 (2)
Mo5B—O82B—Mo8B—O33B102.8 (10)Mo8A—O72A—Mo2A—O21A179.1 (2)
Mo4B—O82B—Mo8B—O83B178.8 (2)Mo7A—O72A—Mo2A—O23A94.4 (9)
Mo7B—O82B—Mo8B—O83B80.2 (2)Mo1A—O72A—Mo2A—O23A179.1 (2)
Mo6B—O82B—Mo8B—O83B17.26 (16)Mo3A—O72A—Mo2A—O23A14.44 (18)
Mo5B—O82B—Mo8B—O83B95.9 (10)Mo8A—O72A—Mo2A—O23A82.0 (2)
Mo4B—O82B—Mo8B—O72B98.45 (16)Mo7A—O72A—Mo2A—O13A99.8 (10)
Mo7B—O82B—Mo8B—O72B0.1 (2)Mo1A—O72A—Mo2A—O13A13.29 (16)
Mo6B—O82B—Mo8B—O72B97.58 (15)Mo3A—O72A—Mo2A—O13A179.8 (2)
Mo5B—O82B—Mo8B—O72B176.3 (9)Mo8A—O72A—Mo2A—O13A83.82 (19)
Mo7B—O72B—Mo8B—O81B5 (3)Mo7A—O72A—Mo2A—O84A176.9 (10)
Mo1B—O72B—Mo8B—O81B89 (3)Mo1A—O72A—Mo2A—O84A96.54 (17)
Mo3B—O72B—Mo8B—O81B99 (3)Mo3A—O72A—Mo2A—O84A96.98 (17)
Mo2B—O72B—Mo8B—O81B176 (3)Mo8A—O72A—Mo2A—O84A0.57 (15)
Mo7B—O72B—Mo8B—O84B179.6 (3)Mo3B—O23B—Mo2B—O22B176.7 (3)
Mo1B—O72B—Mo8B—O84B86.2 (2)Mo3B—O23B—Mo2B—O21B69.7 (3)
Mo3B—O72B—Mo8B—O84B86.0 (2)Mo3B—O23B—Mo2B—O13B45.3 (5)
Mo2B—O72B—Mo8B—O84B0.52 (19)Mo3B—O23B—Mo2B—O84B92.3 (3)
Mo7B—O72B—Mo8B—O33B81.4 (2)Mo3B—O23B—Mo2B—O72B20.3 (2)
Mo1B—O72B—Mo8B—O33B175.5 (2)Mo1B—O13B—Mo2B—O22B176.6 (3)
Mo3B—O72B—Mo8B—O33B12.23 (18)Mo1B—O13B—Mo2B—O21B70.3 (3)
Mo2B—O72B—Mo8B—O33B97.76 (19)Mo1B—O13B—Mo2B—O23B44.8 (5)
Mo7B—O72B—Mo8B—O83B81.6 (2)Mo1B—O13B—Mo2B—O84B91.8 (3)
Mo1B—O72B—Mo8B—O83B12.64 (18)Mo1B—O13B—Mo2B—O72B19.6 (2)
Mo3B—O72B—Mo8B—O83B175.1 (2)Mo8B—O84B—Mo2B—O22B178.2 (3)
Mo2B—O72B—Mo8B—O83B99.3 (2)Mo8B—O84B—Mo2B—O21B0.1 (8)
Mo7B—O72B—Mo8B—O82B0.1 (3)Mo8B—O84B—Mo2B—O23B77.7 (3)
Mo1B—O72B—Mo8B—O82B94.33 (19)Mo8B—O84B—Mo2B—O13B77.6 (3)
Mo3B—O72B—Mo8B—O82B93.46 (17)Mo8B—O84B—Mo2B—O72B0.6 (2)
Mo2B—O72B—Mo8B—O82B178.99 (13)Mo7B—O72B—Mo2B—O22B174.2 (8)
Mo5B—O53B—Mo6B—O61B178.7 (3)Mo1B—O72B—Mo2B—O22B88.3 (8)
Mo5B—O53B—Mo6B—O62B70.6 (3)Mo8B—O72B—Mo2B—O22B9.0 (8)
Mo5B—O53B—Mo6B—O83B48.3 (5)Mo3B—O72B—Mo2B—O22B105.4 (7)
Mo5B—O53B—Mo6B—O63B92.1 (3)Mo7B—O72B—Mo2B—O21B2.6 (10)
Mo5B—O53B—Mo6B—O82B20.6 (3)Mo1B—O72B—Mo2B—O21B83.3 (2)
Mo8B—O83B—Mo6B—O61B178.0 (3)Mo8B—O72B—Mo2B—O21B179.4 (2)
Mo1B—O83B—Mo6B—O61B64.4 (3)Mo3B—O72B—Mo2B—O21B83.0 (2)
Mo8B—O83B—Mo6B—O62B71.2 (3)Mo7B—O72B—Mo2B—O23B94.5 (10)
Mo1B—O83B—Mo6B—O62B171.2 (3)Mo1B—O72B—Mo2B—O23B179.58 (19)
Mo8B—O83B—Mo6B—O53B48.7 (4)Mo8B—O72B—Mo2B—O23B82.3 (2)
Mo1B—O83B—Mo6B—O53B68.9 (4)Mo3B—O72B—Mo2B—O23B14.12 (18)
Mo8B—O83B—Mo6B—O63B95.1 (2)Mo7B—O72B—Mo2B—O13B99.7 (10)
Mo1B—O83B—Mo6B—O63B22.46 (16)Mo1B—O72B—Mo2B—O13B13.80 (16)
Mo8B—O83B—Mo6B—O82B20.17 (19)Mo8B—O72B—Mo2B—O13B83.52 (19)
Mo1B—O83B—Mo6B—O82B97.4 (2)Mo3B—O72B—Mo2B—O13B179.9 (2)
Mo7B—O63B—Mo6B—O61B167.3 (3)Mo7B—O72B—Mo2B—O84B177.2 (10)
Mo1B—O63B—Mo6B—O61B75.0 (3)Mo1B—O72B—Mo2B—O84B96.90 (18)
Mo7B—O63B—Mo6B—O62B40.3 (9)Mo8B—O72B—Mo2B—O84B0.42 (15)
Mo1B—O63B—Mo6B—O62B77.4 (8)Mo3B—O72B—Mo2B—O84B96.79 (17)
Mo7B—O63B—Mo6B—O53B64.4 (2)Mo5A—O53A—Mo6A—O61A177.8 (3)
Mo1B—O63B—Mo6B—O53B177.9 (2)Mo5A—O53A—Mo6A—O62A69.7 (3)
Mo7B—O63B—Mo6B—O83B91.2 (3)Mo5A—O53A—Mo6A—O83A49.7 (5)
Mo1B—O63B—Mo6B—O83B26.5 (2)Mo5A—O53A—Mo6A—O63A93.6 (3)
Mo7B—O63B—Mo6B—O82B14.4 (2)Mo5A—O53A—Mo6A—O82A21.3 (3)
Mo1B—O63B—Mo6B—O82B103.3 (2)Mo8A—O83A—Mo6A—O61A177.4 (3)
Mo8B—O82B—Mo6B—O61B88.8 (7)Mo1A—O83A—Mo6A—O61A64.7 (3)
Mo4B—O82B—Mo6B—O61B163.6 (8)Mo8A—O83A—Mo6A—O62A71.1 (3)
Mo7B—O82B—Mo6B—O61B16.2 (8)Mo1A—O83A—Mo6A—O62A171.0 (2)
Mo5B—O82B—Mo6B—O61B106.8 (7)Mo8A—O83A—Mo6A—O53A49.7 (4)
Mo8B—O82B—Mo6B—O62B78.5 (2)Mo1A—O83A—Mo6A—O53A68.2 (4)
Mo4B—O82B—Mo6B—O62B29.2 (9)Mo8A—O83A—Mo6A—O63A96.2 (2)
Mo7B—O82B—Mo6B—O62B176.6 (2)Mo1A—O83A—Mo6A—O63A21.72 (17)
Mo5B—O82B—Mo6B—O62B85.9 (2)Mo8A—O83A—Mo6A—O82A20.49 (19)
Mo8B—O82B—Mo6B—O53B178.6 (2)Mo1A—O83A—Mo6A—O82A97.4 (2)
Mo4B—O82B—Mo6B—O53B70.9 (9)Mo7A—O63A—Mo6A—O61A166.9 (3)
Mo7B—O82B—Mo6B—O53B76.5 (2)Mo1A—O63A—Mo6A—O61A75.9 (2)
Mo5B—O82B—Mo6B—O53B14.16 (18)Mo7A—O63A—Mo6A—O62A45.3 (8)
Mo8B—O82B—Mo6B—O83B17.50 (16)Mo1A—O63A—Mo6A—O62A71.9 (8)
Mo4B—O82B—Mo6B—O83B125.2 (9)Mo7A—O63A—Mo6A—O53A64.2 (2)
Mo7B—O82B—Mo6B—O83B87.43 (18)Mo1A—O63A—Mo6A—O53A178.6 (2)
Mo5B—O82B—Mo6B—O83B178.07 (19)Mo7A—O63A—Mo6A—O83A92.0 (2)
Mo8B—O82B—Mo6B—O63B93.86 (18)Mo1A—O63A—Mo6A—O83A25.1 (2)
Mo4B—O82B—Mo6B—O63B158.5 (9)Mo7A—O63A—Mo6A—O82A14.9 (2)
Mo7B—O82B—Mo6B—O63B11.07 (16)Mo1A—O63A—Mo6A—O82A102.2 (2)
Mo5B—O82B—Mo6B—O63B101.71 (17)Mo8A—O82A—Mo6A—O61A87.8 (7)
Mo2A—O84A—Mo8A—O81A179.7 (3)Mo4A—O82A—Mo6A—O61A163.6 (8)
Mo2A—O84A—Mo8A—O33A76.4 (3)Mo7A—O82A—Mo6A—O61A17.4 (8)
Mo2A—O84A—Mo8A—O83A76.9 (3)Mo5A—O82A—Mo6A—O61A108.2 (7)
Mo2A—O84A—Mo8A—O82A0.5 (7)Mo8A—O82A—Mo6A—O62A77.6 (2)
Mo2A—O84A—Mo8A—O72A0.9 (2)Mo4A—O82A—Mo6A—O62A31.0 (9)
Mo4A—O33A—Mo8A—O81A76.3 (3)Mo7A—O82A—Mo6A—O62A177.2 (2)
Mo3A—O33A—Mo8A—O81A171.2 (2)Mo5A—O82A—Mo6A—O62A86.4 (2)
Mo4A—O33A—Mo8A—O84A177.2 (2)Mo8A—O82A—Mo6A—O53A178.4 (2)
Mo3A—O33A—Mo8A—O84A64.7 (2)Mo4A—O82A—Mo6A—O53A69.9 (9)
Mo4A—O33A—Mo8A—O83A62.3 (5)Mo7A—O82A—Mo6A—O53A76.3 (2)
Mo3A—O33A—Mo8A—O83A50.2 (5)Mo5A—O82A—Mo6A—O53A14.48 (18)
Mo4A—O33A—Mo8A—O82A21.4 (2)Mo8A—O82A—Mo6A—O83A17.58 (16)
Mo3A—O33A—Mo8A—O82A91.1 (2)Mo4A—O82A—Mo6A—O83A126.1 (9)
Mo4A—O33A—Mo8A—O72A98.7 (2)Mo7A—O82A—Mo6A—O83A87.69 (19)
Mo3A—O33A—Mo8A—O72A13.83 (19)Mo5A—O82A—Mo6A—O83A178.5 (2)
Mo6A—O83A—Mo8A—O81A75.6 (3)Mo8A—O82A—Mo6A—O63A93.71 (18)
Mo1A—O83A—Mo8A—O81A170.9 (2)Mo4A—O82A—Mo6A—O63A157.7 (9)
Mo6A—O83A—Mo8A—O84A177.9 (2)Mo7A—O82A—Mo6A—O63A11.56 (16)
Mo1A—O83A—Mo8A—O84A64.5 (3)Mo5A—O82A—Mo6A—O63A102.35 (17)
Mo6A—O83A—Mo8A—O33A62.9 (4)Mo5A—O43A—Mo4A—O41A179.8 (3)
Mo1A—O83A—Mo8A—O33A50.5 (5)Mo5A—O43A—Mo4A—O42A71.6 (3)
Mo6A—O83A—Mo8A—O82A22.0 (2)Mo5A—O43A—Mo4A—O33A47.7 (5)
Mo1A—O83A—Mo8A—O82A91.4 (2)Mo5A—O43A—Mo4A—O73A92.2 (3)
Mo6A—O83A—Mo8A—O72A99.5 (2)Mo5A—O43A—Mo4A—O82A20.3 (2)
Mo1A—O83A—Mo8A—O72A13.94 (19)Mo8A—O33A—Mo4A—O41A179.1 (3)
Mo4A—O82A—Mo8A—O81A82.2 (2)Mo3A—O33A—Mo4A—O41A63.8 (2)
Mo6A—O82A—Mo8A—O81A82.1 (2)Mo8A—O33A—Mo4A—O42A72.5 (3)
Mo7A—O82A—Mo8A—O81A179.6 (2)Mo3A—O33A—Mo4A—O42A170.5 (2)
Mo5A—O82A—Mo8A—O81A1.7 (10)Mo8A—O33A—Mo4A—O43A48.2 (5)
Mo4A—O82A—Mo8A—O84A98.1 (5)Mo3A—O33A—Mo4A—O43A68.9 (4)
Mo6A—O82A—Mo8A—O84A97.7 (5)Mo8A—O33A—Mo4A—O73A95.4 (2)
Mo7A—O82A—Mo8A—O84A0.2 (6)Mo3A—O33A—Mo4A—O73A21.62 (17)
Mo5A—O82A—Mo8A—O84A178.1 (7)Mo8A—O33A—Mo4A—O82A20.08 (19)
Mo4A—O82A—Mo8A—O33A17.34 (17)Mo3A—O33A—Mo4A—O82A97.0 (2)
Mo6A—O82A—Mo8A—O33A178.4 (2)Mo7A—O73A—Mo4A—O41A165.4 (3)
Mo7A—O82A—Mo8A—O33A80.9 (2)Mo3A—O73A—Mo4A—O41A76.1 (3)
Mo5A—O82A—Mo8A—O33A101.2 (9)Mo7A—O73A—Mo4A—O42A47.9 (8)
Mo4A—O82A—Mo8A—O83A178.1 (2)Mo3A—O73A—Mo4A—O42A70.6 (8)
Mo6A—O82A—Mo8A—O83A17.63 (16)Mo7A—O73A—Mo4A—O43A63.8 (3)
Mo7A—O82A—Mo8A—O83A79.9 (2)Mo3A—O73A—Mo4A—O43A177.7 (2)
Mo5A—O82A—Mo8A—O83A98.0 (10)Mo7A—O73A—Mo4A—O33A92.9 (3)
Mo4A—O82A—Mo8A—O72A98.41 (16)Mo3A—O73A—Mo4A—O33A25.5 (2)
Mo6A—O82A—Mo8A—O72A97.33 (15)Mo7A—O73A—Mo4A—O82A15.4 (2)
Mo7A—O82A—Mo8A—O72A0.1 (2)Mo3A—O73A—Mo4A—O82A103.1 (2)
Mo5A—O82A—Mo8A—O72A177.7 (9)Mo8A—O82A—Mo4A—O41A91.0 (7)
Mo7A—O72A—Mo8A—O81A7 (3)Mo6A—O82A—Mo4A—O41A160.5 (8)
Mo1A—O72A—Mo8A—O81A88 (3)Mo7A—O82A—Mo4A—O41A14.4 (7)
Mo3A—O72A—Mo8A—O81A101 (3)Mo5A—O82A—Mo4A—O41A105.2 (6)
Mo2A—O72A—Mo8A—O81A174 (3)Mo8A—O82A—Mo4A—O42A77.4 (2)
Mo7A—O72A—Mo8A—O84A179.7 (2)Mo6A—O82A—Mo4A—O42A31.1 (9)
Mo1A—O72A—Mo8A—O84A85.6 (2)Mo7A—O82A—Mo4A—O42A177.2 (2)
Mo3A—O72A—Mo8A—O84A85.8 (2)Mo5A—O82A—Mo4A—O42A86.4 (2)
Mo2A—O72A—Mo8A—O84A0.69 (18)Mo8A—O82A—Mo4A—O43A177.7 (2)
Mo7A—O72A—Mo8A—O33A81.0 (2)Mo6A—O82A—Mo4A—O43A69.2 (9)
Mo1A—O72A—Mo8A—O33A175.7 (2)Mo7A—O82A—Mo4A—O43A76.9 (2)
Mo3A—O72A—Mo8A—O33A12.98 (18)Mo5A—O82A—Mo4A—O43A13.91 (16)
Mo2A—O72A—Mo8A—O33A98.06 (19)Mo8A—O82A—Mo4A—O33A17.22 (17)
Mo7A—O72A—Mo8A—O83A81.6 (2)Mo6A—O82A—Mo4A—O33A125.7 (9)
Mo1A—O72A—Mo8A—O83A13.13 (17)Mo7A—O82A—Mo4A—O33A88.1 (2)
Mo3A—O72A—Mo8A—O83A175.5 (2)Mo5A—O82A—Mo4A—O33A179.0 (2)
Mo2A—O72A—Mo8A—O83A99.39 (19)Mo8A—O82A—Mo4A—O73A93.43 (19)
Mo7A—O72A—Mo8A—O82A0.2 (3)Mo6A—O82A—Mo4A—O73A158.1 (9)
Mo1A—O72A—Mo8A—O82A94.56 (19)Mo7A—O82A—Mo4A—O73A11.92 (15)
Mo3A—O72A—Mo8A—O82A94.09 (18)Mo5A—O82A—Mo4A—O73A102.75 (18)
Mo2A—O72A—Mo8A—O82A179.17 (13)Mo6A—O53A—Mo5A—O52A177.1 (3)
Mo5A—O74A—Mo7A—O71A179.5 (3)Mo6A—O53A—Mo5A—O51A70.8 (3)
Mo5A—O74A—Mo7A—O63A75.8 (3)Mo6A—O53A—Mo5A—O43A45.6 (5)
Mo5A—O74A—Mo7A—O73A76.8 (3)Mo6A—O53A—Mo5A—O74A92.1 (3)
Mo5A—O74A—Mo7A—O72A0.5 (7)Mo6A—O53A—Mo5A—O82A20.5 (2)
Mo5A—O74A—Mo7A—O82A0.8 (2)Mo4A—O43A—Mo5A—O52A177.8 (3)
Mo1A—O63A—Mo7A—O71A75.8 (3)Mo4A—O43A—Mo5A—O51A72.0 (3)
Mo6A—O63A—Mo7A—O71A170.7 (2)Mo4A—O43A—Mo5A—O53A44.5 (5)
Mo1A—O63A—Mo7A—O74A178.4 (2)Mo4A—O43A—Mo5A—O74A91.0 (3)
Mo6A—O63A—Mo7A—O74A64.9 (2)Mo4A—O43A—Mo5A—O82A19.4 (2)
Mo1A—O63A—Mo7A—O73A62.7 (4)Mo7A—O74A—Mo5A—O52A179.7 (3)
Mo6A—O63A—Mo7A—O73A50.8 (4)Mo7A—O74A—Mo5A—O51A1.2 (9)
Mo1A—O63A—Mo7A—O72A21.56 (19)Mo7A—O74A—Mo5A—O53A76.8 (3)
Mo6A—O63A—Mo7A—O72A91.9 (2)Mo7A—O74A—Mo5A—O43A77.9 (3)
Mo1A—O63A—Mo7A—O82A99.0 (2)Mo7A—O74A—Mo5A—O82A0.8 (2)
Mo6A—O63A—Mo7A—O82A14.46 (19)Mo8A—O82A—Mo5A—O52A177.8 (8)
Mo3A—O73A—Mo7A—O71A75.2 (3)Mo4A—O82A—Mo5A—O52A92.9 (8)
Mo4A—O73A—Mo7A—O71A170.3 (2)Mo6A—O82A—Mo5A—O52A100.7 (8)
Mo3A—O73A—Mo7A—O74A179.1 (2)Mo7A—O82A—Mo5A—O52A4.3 (8)
Mo4A—O73A—Mo7A—O74A64.6 (3)Mo8A—O82A—Mo5A—O51A1.7 (10)
Mo3A—O73A—Mo7A—O63A63.3 (4)Mo4A—O82A—Mo5A—O51A83.2 (2)
Mo4A—O73A—Mo7A—O63A51.2 (5)Mo6A—O82A—Mo5A—O51A83.1 (2)
Mo3A—O73A—Mo7A—O72A22.24 (19)Mo7A—O82A—Mo5A—O51A179.6 (2)
Mo4A—O73A—Mo7A—O72A92.3 (2)Mo8A—O82A—Mo5A—O53A96.0 (9)
Mo3A—O73A—Mo7A—O82A99.8 (2)Mo4A—O82A—Mo5A—O53A179.2 (2)
Mo4A—O73A—Mo7A—O82A14.75 (19)Mo6A—O82A—Mo5A—O53A14.48 (18)
Mo1A—O72A—Mo7A—O71A82.4 (2)Mo7A—O82A—Mo5A—O53A82.0 (2)
Mo3A—O72A—Mo7A—O71A82.3 (2)Mo8A—O82A—Mo5A—O43A98.8 (10)
Mo8A—O72A—Mo7A—O71A179.5 (2)Mo4A—O82A—Mo5A—O43A13.90 (16)
Mo2A—O72A—Mo7A—O71A3.3 (10)Mo6A—O82A—Mo5A—O43A179.7 (2)
Mo1A—O72A—Mo7A—O74A97.7 (5)Mo7A—O82A—Mo5A—O43A83.29 (19)
Mo3A—O72A—Mo7A—O74A97.7 (5)Mo8A—O82A—Mo5A—O74A178.5 (10)
Mo8A—O72A—Mo7A—O74A0.4 (6)Mo4A—O82A—Mo5A—O74A96.67 (19)
Mo2A—O72A—Mo7A—O74A176.6 (7)Mo6A—O82A—Mo5A—O74A96.98 (18)
Mo1A—O72A—Mo7A—O63A17.57 (16)Mo7A—O82A—Mo5A—O74A0.52 (16)
Mo3A—O72A—Mo7A—O63A177.78 (19)Mo5B—O43B—Mo4B—O41B180.0 (3)
Mo8A—O72A—Mo7A—O63A80.5 (2)Mo5B—O43B—Mo4B—O42B71.7 (3)
Mo2A—O72A—Mo7A—O63A103.2 (9)Mo5B—O43B—Mo4B—O33B49.2 (5)
Mo1A—O72A—Mo7A—O73A177.70 (19)Mo5B—O43B—Mo4B—O73B92.7 (3)
Mo3A—O72A—Mo7A—O73A17.64 (15)Mo5B—O43B—Mo4B—O82B20.7 (2)
Mo8A—O72A—Mo7A—O73A79.60 (19)Mo8B—O33B—Mo4B—O41B179.5 (3)
Mo2A—O72A—Mo7A—O73A96.6 (10)Mo3B—O33B—Mo4B—O41B62.4 (2)
Mo1A—O72A—Mo7A—O82A97.96 (16)Mo8B—O33B—Mo4B—O42B72.9 (3)
Mo3A—O72A—Mo7A—O82A97.39 (15)Mo3B—O33B—Mo4B—O42B169.1 (2)
Mo8A—O72A—Mo7A—O82A0.1 (2)Mo8B—O33B—Mo4B—O43B49.5 (4)
Mo2A—O72A—Mo7A—O82A176.4 (9)Mo3B—O33B—Mo4B—O43B68.5 (4)
Mo8A—O82A—Mo7A—O71A4 (3)Mo8B—O33B—Mo4B—O73B95.6 (2)
Mo4A—O82A—Mo7A—O71A91 (3)Mo3B—O33B—Mo4B—O73B22.40 (16)
Mo6A—O82A—Mo7A—O71A98 (3)Mo8B—O33B—Mo4B—O82B20.18 (19)
Mo5A—O82A—Mo7A—O71A177 (3)Mo3B—O33B—Mo4B—O82B97.8 (2)
Mo8A—O82A—Mo7A—O74A180.0 (3)Mo7B—O73B—Mo4B—O41B166.5 (3)
Mo4A—O82A—Mo7A—O74A85.1 (2)Mo3B—O73B—Mo4B—O41B75.5 (2)
Mo6A—O82A—Mo7A—O74A85.6 (2)Mo7B—O73B—Mo4B—O42B47.1 (8)
Mo5A—O82A—Mo7A—O74A0.6 (2)Mo3B—O73B—Mo4B—O42B70.9 (8)
Mo8A—O82A—Mo7A—O63A81.1 (2)Mo7B—O73B—Mo4B—O43B64.7 (3)
Mo4A—O82A—Mo7A—O63A175.9 (2)Mo3B—O73B—Mo4B—O43B177.3 (2)
Mo6A—O82A—Mo7A—O63A13.35 (18)Mo7B—O73B—Mo4B—O33B91.6 (2)
Mo5A—O82A—Mo7A—O63A98.34 (19)Mo3B—O73B—Mo4B—O33B26.4 (2)
Mo8A—O82A—Mo7A—O73A81.0 (2)Mo7B—O73B—Mo4B—O82B14.5 (2)
Mo4A—O82A—Mo7A—O73A13.81 (17)Mo3B—O73B—Mo4B—O82B103.5 (2)
Mo6A—O82A—Mo7A—O73A175.4 (2)Mo8B—O82B—Mo4B—O41B91.1 (6)
Mo5A—O82A—Mo7A—O73A99.6 (2)Mo7B—O82B—Mo4B—O41B14.0 (7)
Mo8A—O82A—Mo7A—O72A0.2 (3)Mo6B—O82B—Mo4B—O41B161.4 (7)
Mo4A—O82A—Mo7A—O72A94.97 (19)Mo5B—O82B—Mo4B—O41B104.7 (6)
Mo6A—O82A—Mo7A—O72A94.26 (17)Mo8B—O82B—Mo4B—O42B77.4 (2)
Mo5A—O82A—Mo7A—O72A179.25 (13)Mo7B—O82B—Mo4B—O42B177.5 (2)
Mo5B—O74B—Mo7B—O71B179.8 (3)Mo6B—O82B—Mo4B—O42B30.2 (9)
Mo5B—O74B—Mo7B—O63B76.0 (3)Mo5B—O82B—Mo4B—O42B86.8 (2)
Mo5B—O74B—Mo7B—O73B77.3 (3)Mo8B—O82B—Mo4B—O43B178.6 (2)
Mo5B—O74B—Mo7B—O72B0.1 (7)Mo7B—O82B—Mo4B—O43B76.3 (2)
Mo5B—O74B—Mo7B—O82B0.8 (2)Mo6B—O82B—Mo4B—O43B71.0 (8)
Mo1B—O63B—Mo7B—O71B75.3 (3)Mo5B—O82B—Mo4B—O43B14.36 (16)
Mo6B—O63B—Mo7B—O71B170.5 (2)Mo8B—O82B—Mo4B—O33B17.57 (17)
Mo1B—O63B—Mo7B—O74B179.5 (2)Mo7B—O82B—Mo4B—O33B87.5 (2)
Mo6B—O63B—Mo7B—O74B65.3 (2)Mo6B—O82B—Mo4B—O33B125.1 (9)
Mo1B—O63B—Mo7B—O73B65.0 (4)Mo5B—O82B—Mo4B—O33B178.2 (2)
Mo6B—O63B—Mo7B—O73B49.2 (5)Mo8B—O82B—Mo4B—O73B93.79 (19)
Mo1B—O63B—Mo7B—O72B22.4 (2)Mo7B—O82B—Mo4B—O73B11.32 (15)
Mo6B—O63B—Mo7B—O72B91.8 (2)Mo6B—O82B—Mo4B—O73B158.7 (9)
Mo1B—O63B—Mo7B—O82B100.2 (2)Mo5B—O82B—Mo4B—O73B102.02 (17)
Mo6B—O63B—Mo7B—O82B14.1 (2)Mo2A—O13A—Mo1A—O11A180.0 (3)
Mo3B—O73B—Mo7B—O71B76.1 (3)Mo2A—O13A—Mo1A—O12A72.9 (3)
Mo4B—O73B—Mo7B—O71B170.3 (2)Mo2A—O13A—Mo1A—O63A47.6 (5)
Mo3B—O73B—Mo7B—O74B178.9 (2)Mo2A—O13A—Mo1A—O83A92.2 (3)
Mo4B—O73B—Mo7B—O74B65.3 (2)Mo2A—O13A—Mo1A—O72A19.5 (2)
Mo3B—O73B—Mo7B—O63B64.5 (4)Mo7A—O63A—Mo1A—O11A178.2 (2)
Mo4B—O73B—Mo7B—O63B49.1 (5)Mo6A—O63A—Mo1A—O11A63.6 (2)
Mo3B—O73B—Mo7B—O72B21.96 (19)Mo7A—O63A—Mo1A—O12A72.5 (3)
Mo4B—O73B—Mo7B—O72B91.7 (2)Mo6A—O63A—Mo1A—O12A169.3 (2)
Mo3B—O73B—Mo7B—O82B99.7 (2)Mo7A—O63A—Mo1A—O13A49.1 (4)
Mo4B—O73B—Mo7B—O82B13.94 (19)Mo6A—O63A—Mo1A—O13A69.1 (4)
Mo1B—O72B—Mo7B—O71B82.6 (2)Mo7A—O63A—Mo1A—O83A96.5 (2)
Mo8B—O72B—Mo7B—O71B179.2 (2)Mo6A—O63A—Mo1A—O83A21.72 (17)
Mo3B—O72B—Mo7B—O71B82.0 (2)Mo7A—O63A—Mo1A—O72A20.40 (18)
Mo2B—O72B—Mo7B—O71B2.5 (10)Mo6A—O63A—Mo1A—O72A97.8 (2)
Mo1B—O72B—Mo7B—O74B97.7 (5)Mo8A—O83A—Mo1A—O11A166.2 (3)
Mo8B—O72B—Mo7B—O74B0.6 (6)Mo6A—O83A—Mo1A—O11A76.4 (2)
Mo3B—O72B—Mo7B—O74B97.7 (5)Mo8A—O83A—Mo1A—O12A48.8 (9)
Mo2B—O72B—Mo7B—O74B177.2 (7)Mo6A—O83A—Mo1A—O12A68.6 (8)
Mo1B—O72B—Mo7B—O63B17.98 (16)Mo8A—O83A—Mo1A—O13A64.2 (2)
Mo8B—O72B—Mo7B—O63B80.2 (2)Mo6A—O83A—Mo1A—O13A178.4 (2)
Mo3B—O72B—Mo7B—O63B177.39 (19)Mo8A—O83A—Mo1A—O63A92.2 (3)
Mo2B—O72B—Mo7B—O63B103.1 (10)Mo6A—O83A—Mo1A—O63A25.15 (19)
Mo1B—O72B—Mo7B—O73B178.23 (19)Mo8A—O83A—Mo1A—O72A14.6 (2)
Mo8B—O72B—Mo7B—O73B80.02 (19)Mo6A—O83A—Mo1A—O72A102.7 (2)
Mo3B—O72B—Mo7B—O73B17.14 (15)Mo7A—O72A—Mo1A—O11A90.8 (7)
Mo2B—O72B—Mo7B—O73B96.7 (10)Mo3A—O72A—Mo1A—O11A161.3 (7)
Mo1B—O72B—Mo7B—O82B98.32 (15)Mo8A—O72A—Mo1A—O11A13.8 (7)
Mo8B—O72B—Mo7B—O82B0.1 (2)Mo2A—O72A—Mo1A—O11A104.4 (6)
Mo3B—O72B—Mo7B—O82B97.05 (15)Mo7A—O72A—Mo1A—O12A77.8 (2)
Mo2B—O72B—Mo7B—O82B176.6 (9)Mo3A—O72A—Mo1A—O12A30.1 (9)
Mo8B—O82B—Mo7B—O71B12 (3)Mo8A—O72A—Mo1A—O12A177.6 (2)
Mo4B—O82B—Mo7B—O71B83 (3)Mo2A—O72A—Mo1A—O12A87.0 (2)
Mo6B—O82B—Mo7B—O71B106 (3)Mo7A—O72A—Mo1A—O13A178.1 (2)
Mo5B—O82B—Mo7B—O71B169 (3)Mo3A—O72A—Mo1A—O13A70.1 (9)
Mo8B—O82B—Mo7B—O74B179.6 (3)Mo8A—O72A—Mo1A—O13A77.3 (2)
Mo4B—O82B—Mo7B—O74B85.3 (2)Mo2A—O72A—Mo1A—O13A13.19 (16)
Mo6B—O82B—Mo7B—O74B85.6 (2)Mo7A—O72A—Mo1A—O63A17.38 (16)
Mo5B—O82B—Mo7B—O74B0.65 (19)Mo3A—O72A—Mo1A—O63A125.3 (9)
Mo8B—O82B—Mo7B—O63B81.2 (2)Mo8A—O72A—Mo1A—O63A87.23 (19)
Mo4B—O82B—Mo7B—O63B176.3 (2)Mo2A—O72A—Mo1A—O63A177.75 (18)
Mo6B—O82B—Mo7B—O63B12.77 (18)Mo7A—O72A—Mo1A—O83A93.26 (18)
Mo5B—O82B—Mo7B—O63B97.7 (2)Mo3A—O72A—Mo1A—O83A158.8 (9)
Mo8B—O82B—Mo7B—O73B82.0 (2)Mo8A—O72A—Mo1A—O83A11.36 (15)
Mo4B—O82B—Mo7B—O73B13.08 (17)Mo2A—O72A—Mo1A—O83A101.88 (17)
Mo6B—O82B—Mo7B—O73B176.0 (2)Mo2B—O13B—Mo1B—O11B179.4 (3)
Mo5B—O82B—Mo7B—O73B99.08 (19)Mo2B—O13B—Mo1B—O12B72.1 (3)
Mo8B—O82B—Mo7B—O72B0.1 (3)Mo2B—O13B—Mo1B—O63B48.8 (5)
Mo4B—O82B—Mo7B—O72B94.92 (19)Mo2B—O13B—Mo1B—O72B20.0 (2)
Mo6B—O82B—Mo7B—O72B94.13 (17)Mo2B—O13B—Mo1B—O83B92.5 (3)
Mo5B—O82B—Mo7B—O72B179.08 (13)Mo7B—O63B—Mo1B—O11B177.9 (2)
Mo6B—O53B—Mo5B—O52B177.4 (3)Mo6B—O63B—Mo1B—O11B62.8 (2)
Mo6B—O53B—Mo5B—O51B70.0 (3)Mo7B—O63B—Mo1B—O12B72.0 (3)
Mo6B—O53B—Mo5B—O43B45.1 (5)Mo6B—O63B—Mo1B—O12B168.7 (2)
Mo6B—O53B—Mo5B—O74B92.4 (3)Mo7B—O63B—Mo1B—O13B50.3 (4)
Mo6B—O53B—Mo5B—O82B20.2 (3)Mo6B—O63B—Mo1B—O13B69.1 (4)
Mo4B—O43B—Mo5B—O52B177.0 (3)Mo7B—O63B—Mo1B—O72B20.86 (19)
Mo4B—O43B—Mo5B—O51B70.1 (3)Mo6B—O63B—Mo1B—O72B98.5 (2)
Mo4B—O43B—Mo5B—O53B45.0 (5)Mo7B—O63B—Mo1B—O83B96.9 (2)
Mo4B—O43B—Mo5B—O74B92.5 (3)Mo6B—O63B—Mo1B—O83B22.47 (16)
Mo4B—O43B—Mo5B—O82B20.0 (2)Mo7B—O72B—Mo1B—O11B92.9 (7)
Mo7B—O74B—Mo5B—O52B179.0 (3)Mo8B—O72B—Mo1B—O11B11.2 (7)
Mo7B—O74B—Mo5B—O51B1.9 (9)Mo3B—O72B—Mo1B—O11B161.8 (8)
Mo7B—O74B—Mo5B—O53B77.2 (3)Mo2B—O72B—Mo1B—O11B102.6 (6)
Mo7B—O74B—Mo5B—O43B77.9 (3)Mo7B—O72B—Mo1B—O12B77.6 (2)
Mo7B—O74B—Mo5B—O82B0.8 (2)Mo8B—O72B—Mo1B—O12B178.3 (2)
Mo8B—O82B—Mo5B—O52B177.1 (8)Mo3B—O72B—Mo1B—O12B27.7 (9)
Mo4B—O82B—Mo5B—O52B90.8 (7)Mo2B—O72B—Mo1B—O12B86.9 (2)
Mo7B—O82B—Mo5B—O52B6.7 (8)Mo7B—O72B—Mo1B—O13B178.6 (2)
Mo6B—O82B—Mo5B—O52B103.2 (7)Mo8B—O72B—Mo1B—O13B77.4 (2)
Mo8B—O82B—Mo5B—O51B3.5 (10)Mo3B—O72B—Mo1B—O13B73.3 (8)
Mo4B—O82B—Mo5B—O51B82.7 (2)Mo2B—O72B—Mo1B—O13B14.04 (16)
Mo7B—O82B—Mo5B—O51B179.8 (2)Mo7B—O72B—Mo1B—O63B17.91 (16)
Mo6B—O82B—Mo5B—O51B83.2 (2)Mo8B—O72B—Mo1B—O63B86.15 (19)
Mo8B—O82B—Mo5B—O53B93.8 (10)Mo3B—O72B—Mo1B—O63B123.2 (9)
Mo4B—O82B—Mo5B—O53B180.0 (2)Mo2B—O72B—Mo1B—O63B177.56 (19)
Mo7B—O82B—Mo5B—O53B82.5 (2)Mo7B—O72B—Mo1B—O83B93.17 (19)
Mo6B—O82B—Mo5B—O53B14.07 (19)Mo8B—O72B—Mo1B—O83B10.88 (15)
Mo8B—O82B—Mo5B—O43B100.4 (10)Mo3B—O72B—Mo1B—O83B161.6 (9)
Mo4B—O82B—Mo5B—O43B14.18 (16)Mo2B—O72B—Mo1B—O83B102.30 (17)
Mo7B—O82B—Mo5B—O43B83.29 (19)Mo8B—O83B—Mo1B—O11B166.2 (3)
Mo6B—O82B—Mo5B—O43B179.9 (2)Mo6B—O83B—Mo1B—O11B76.1 (3)
Mo8B—O82B—Mo5B—O74B176.8 (10)Mo8B—O83B—Mo1B—O12B48.4 (9)
Mo4B—O82B—Mo5B—O74B96.93 (18)Mo6B—O83B—Mo1B—O12B69.3 (8)
Mo7B—O82B—Mo5B—O74B0.54 (16)Mo8B—O83B—Mo1B—O13B64.4 (3)
Mo6B—O82B—Mo5B—O74B97.12 (18)Mo6B—O83B—Mo1B—O13B178.0 (2)
Mo2A—O23A—Mo3A—O31A177.3 (3)Mo8B—O83B—Mo1B—O63B91.3 (3)
Mo2A—O23A—Mo3A—O32A69.9 (3)Mo6B—O83B—Mo1B—O63B26.34 (19)
Mo2A—O23A—Mo3A—O73A50.9 (5)Mo8B—O83B—Mo1B—O72B13.9 (2)
Mo2A—O23A—Mo3A—O33A93.9 (3)Mo6B—O83B—Mo1B—O72B103.8 (2)
Mo2A—O23A—Mo3A—O72A21.1 (2)C18B—C17B—N1B—C15B56.3 (13)
Mo7A—O73A—Mo3A—O31A176.3 (3)C18B—C17B—N1B—C11B177.0 (11)
Mo4A—O73A—Mo3A—O31A64.9 (3)C18B—C17B—N1B—C13B62.3 (13)
Mo7A—O73A—Mo3A—O32A70.2 (3)C16B—C15B—N1B—C17B51.9 (13)
Mo4A—O73A—Mo3A—O32A171.0 (2)C16B—C15B—N1B—C11B64.8 (12)
Mo7A—O73A—Mo3A—O23A51.4 (4)C16B—C15B—N1B—C13B173.5 (10)
Mo4A—O73A—Mo3A—O23A67.4 (4)C12B—C11B—N1B—C17B174.3 (10)
Mo7A—O73A—Mo3A—O33A97.0 (2)C12B—C11B—N1B—C15B65.1 (12)
Mo4A—O73A—Mo3A—O33A21.82 (17)C12B—C11B—N1B—C13B53.6 (13)
Mo7A—O73A—Mo3A—O72A20.76 (18)C14B—C13B—N1B—C17B59.8 (11)
Mo4A—O73A—Mo3A—O72A98.0 (2)C14B—C13B—N1B—C15B178.6 (9)
Mo8A—O33A—Mo3A—O31A167.5 (3)C14B—C13B—N1B—C11B56.9 (11)
Mo4A—O33A—Mo3A—O31A75.9 (2)C36A—C35A—N3A—C37A50.5 (12)
Mo8A—O33A—Mo3A—O32A41.6 (9)C36A—C35A—N3A—C33A171.7 (9)
Mo4A—O33A—Mo3A—O32A75.0 (8)C36A—C35A—N3A—C31A67.8 (11)
Mo8A—O33A—Mo3A—O23A64.9 (2)C38A—C37A—N3A—C35A58.9 (10)
Mo4A—O33A—Mo3A—O23A178.5 (2)C38A—C37A—N3A—C33A58.6 (10)
Mo8A—O33A—Mo3A—O73A91.4 (3)C38A—C37A—N3A—C31A179.5 (9)
Mo4A—O33A—Mo3A—O73A25.2 (2)C34A—C33A—N3A—C35A177.7 (10)
Mo8A—O33A—Mo3A—O72A14.4 (2)C34A—C33A—N3A—C37A60.4 (12)
Mo4A—O33A—Mo3A—O72A102.2 (2)C34A—C33A—N3A—C31A58.3 (12)
Mo7A—O72A—Mo3A—O31A87.3 (7)C32A—C31A—N3A—C35A58.3 (12)
Mo1A—O72A—Mo3A—O31A164.7 (8)C32A—C31A—N3A—C37A179.6 (9)
Mo8A—O72A—Mo3A—O31A17.2 (8)C32A—C31A—N3A—C33A58.0 (12)
Mo2A—O72A—Mo3A—O31A107.6 (7)C38B—C37B—N3B—C33B60.3 (12)
Mo7A—O72A—Mo3A—O32A79.1 (2)C38B—C37B—N3B—C35B58.5 (12)
Mo1A—O72A—Mo3A—O32A28.9 (9)C38B—C37B—N3B—C31B177.6 (9)
Mo8A—O72A—Mo3A—O32A176.4 (2)C34B—C33B—N3B—C37B61.5 (14)
Mo2A—O72A—Mo3A—O32A86.0 (2)C34B—C33B—N3B—C35B176.6 (12)
Mo7A—O72A—Mo3A—O23A179.4 (2)C34B—C33B—N3B—C31B55.0 (15)
Mo1A—O72A—Mo3A—O23A71.4 (9)C36B—C35B—N3B—C37B50.2 (16)
Mo8A—O72A—Mo3A—O23A76.1 (2)C36B—C35B—N3B—C33B171.4 (12)
Mo2A—O72A—Mo3A—O23A14.33 (17)C36B—C35B—N3B—C31B65.1 (15)
Mo7A—O72A—Mo3A—O73A17.58 (16)C32B—C31B—N3B—C37B174.9 (11)
Mo1A—O72A—Mo3A—O73A125.6 (9)C32B—C31B—N3B—C33B54.6 (15)
Mo8A—O72A—Mo3A—O73A86.90 (18)C32B—C31B—N3B—C35B64.9 (13)
Mo2A—O72A—Mo3A—O73A177.34 (19)C22B—C21B—N2B—C27B57.7 (12)
Mo7A—O72A—Mo3A—O33A93.35 (18)C22B—C21B—N2B—C23B179.5 (9)
Mo1A—O72A—Mo3A—O33A158.6 (9)C22B—C21B—N2B—C25B61.1 (11)
Mo8A—O72A—Mo3A—O33A11.13 (16)C28B—C27B—N2B—C21B57.7 (12)
Mo2A—O72A—Mo3A—O33A101.57 (17)C28B—C27B—N2B—C23B61.8 (11)
Mo2B—O23B—Mo3B—O31B178.8 (3)C28B—C27B—N2B—C25B178.1 (10)
Mo2B—O23B—Mo3B—O32B70.6 (3)C24B—C23B—N2B—C21B178.0 (9)
Mo2B—O23B—Mo3B—O73B47.8 (5)C24B—C23B—N2B—C27B58.4 (11)
Mo2B—O23B—Mo3B—O33B92.7 (3)C24B—C23B—N2B—C25B59.8 (11)
Mo2B—O23B—Mo3B—O72B20.5 (2)C26B—C25B—N2B—C21B59.6 (11)
Mo7B—O73B—Mo3B—O31B178.1 (2)C26B—C25B—N2B—C27B177.6 (9)
Mo4B—O73B—Mo3B—O31B63.7 (2)C26B—C25B—N2B—C23B56.3 (10)
Mo7B—O73B—Mo3B—O32B71.5 (3)C28A—C27A—N2A—C21A58.0 (10)
Mo4B—O73B—Mo3B—O32B170.4 (2)C28A—C27A—N2A—C23A59.8 (10)
Mo7B—O73B—Mo3B—O23B48.0 (4)C28A—C27A—N2A—C25A179.5 (9)
Mo4B—O73B—Mo3B—O23B70.1 (4)C22A—C21A—N2A—C27A56.8 (11)
Mo7B—O73B—Mo3B—O33B95.7 (2)C22A—C21A—N2A—C23A177.4 (9)
Mo4B—O73B—Mo3B—O33B22.49 (17)C22A—C21A—N2A—C25A61.9 (11)
Mo7B—O73B—Mo3B—O72B20.11 (18)C24A—C23A—N2A—C27A57.0 (11)
Mo4B—O73B—Mo3B—O72B98.1 (2)C24A—C23A—N2A—C21A179.1 (9)
Mo8B—O33B—Mo3B—O31B167.8 (3)C24A—C23A—N2A—C25A60.5 (11)
Mo4B—O33B—Mo3B—O31B75.4 (2)C26A—C25A—N2A—C27A177.8 (10)
Mo8B—O33B—Mo3B—O32B41.5 (9)C26A—C25A—N2A—C21A55.0 (12)
Mo4B—O33B—Mo3B—O32B75.3 (8)C26A—C25A—N2A—C23A62.1 (12)
Mo8B—O33B—Mo3B—O23B64.1 (2)C18A—C17A—N1A—C15A56.4 (16)
Mo4B—O33B—Mo3B—O23B179.0 (2)C18A—C17A—N1A—C13A62.4 (16)
Mo8B—O33B—Mo3B—O73B90.5 (2)C18A—C17A—N1A—C11A176.3 (13)
Mo4B—O33B—Mo3B—O73B26.3 (2)C16A—C15A—N1A—C17A52.0 (16)
Mo8B—O33B—Mo3B—O72B13.6 (2)C16A—C15A—N1A—C13A176.7 (12)
Mo4B—O33B—Mo3B—O72B103.2 (2)C16A—C15A—N1A—C11A63.7 (14)
Mo7B—O72B—Mo3B—O31B88.9 (7)C14A—C13A—N1A—C17A59.1 (14)
Mo1B—O72B—Mo3B—O31B165.8 (8)C14A—C13A—N1A—C15A178.6 (10)
Mo8B—O72B—Mo3B—O31B15.0 (7)C14A—C13A—N1A—C11A58.6 (12)
Mo2B—O72B—Mo3B—O31B106.4 (6)C12A—C11A—N1A—C17A179.2 (12)
Mo7B—O72B—Mo3B—O32B78.8 (2)C12A—C11A—N1A—C15A59.4 (14)
Mo1B—O72B—Mo3B—O32B26.6 (9)C12A—C11A—N1A—C13A56.7 (15)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N4A—H1N···O12B0.822.399 (6)2.908 (10)121.3 (6)
N4A—H1N···O21B0.822.388 (5)2.851 (10)116.8 (6)
N4A—H1N···O32B0.822.571 (5)2.936 (9)108.7 (6)
N4A—H1N···O71B0.822.482 (5)2.904 (10)113.3 (6)
N4A—H2N···O42A0.962.457 (5)2.856 (10)104.9 (5)
N4A—H2N···O51A0.962.216 (5)2.915 (10)129.2 (5)
N4A—H3N···O12B0.732.566 (6)2.908 (10)110.9 (7)
N4A—H3N···O62A0.732.261 (5)2.909 (9)148.30 (5)
N4A—H4N···O42A0.962.511 (6)2.856 (10)101.1 (5)
N4A—H4N···O81A0.961.999 (5)2.865 (10)149.2 (5)
N4B—H5N···O12Ai0.842.441 (6)2.854 (10)110.9 (6)
N4B—H5N···O32Ai0.842.445 (5)2.950 (9)119.1 (5)
N4B—H5N···O71Ai0.842.458 (6)2.943 (10)117.4 (5)
N4B—H6N···O12Ai0.952.387 (5)2.854 (10)109.9 (5)
N4B—H6N···O62B0.952.214 (5)2.992 (9)138.5 (5)
N4B—H7N···O42B0.972.385 (6)2.820 (10)106.8 (5)
N4B—H7N···O81B0.972.089 (5)2.895 (10)139.6 (5)
N4B—H8N···O51B0.962.122 (5)2.855 (10)132.5 (5)
Symmetry code: (i) x, y, z1.

Experimental details

Crystal data
Chemical formulaNH4(C8H20N)3[Mo8O26]
Mr1592.31
Crystal system, space groupMonoclinic, P21
Temperature (K)293
a, b, c (Å)10.7154 (2), 22.8873 (3), 19.9338 (2)
β (°) 96.906 (8)
V3)4853.23 (12)
Z4
Radiation typeMo Kα
µ (mm1)2.08
Crystal size (mm)0.25 × 0.15 × 0.05
Data collection
DiffractometerNonius KappaCCD
diffractometer
Absorption correction
No. of measured, independent and
observed [I > 2σ(I)] reflections
57681, 29087, 21795
Rint0.074
(sin θ/λ)max1)0.724
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.048, 0.124, 1.01
No. of reflections29087
No. of parameters1117
No. of restraints1
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)0.86, 1.29
Absolute structureFlack (1983), with 13317 Friedel pairs
Absolute structure parameter0.17 (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).

Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N4A—H1N···O12B0.822.399 (6)2.908 (10)121.32 (58)
N4A—H1N···O21B0.822.388 (5)2.851 (10)116.76 (59)
N4A—H1N···O32B0.822.571 (5)2.936 (9)108.68 (57)
N4A—H1N···O71B0.822.482 (5)2.904 (10)113.29 (55)
N4A—H2N···O42A0.962.457 (5)2.856 (10)104.87 (51)
N4A—H2N···O51A0.962.216 (5)2.915 (10)129.21 (53)
N4A—H3N···O12B0.732.566 (6)2.908 (10)110.92 (67)
N4A—H3N···O62A0.732.261 (5)2.909 (9)148.30 (5)
N4A—H4N···O42A0.962.511 (6)2.856 (10)101.14 (51)
N4A—H4N···O81A0.961.999 (5)2.865 (10)149.24 (50)
N4B—H5N···O12Ai0.842.441 (6)2.854 (10)110.89 (56)
N4B—H5N···O32Ai0.842.445 (5)2.950 (9)119.12 (54)
N4B—H5N···O71Ai0.842.458 (6)2.943 (10)117.38 (53)
N4B—H6N···O12Ai0.952.387 (5)2.854 (10)109.94 (50)
N4B—H6N···O62B0.952.214 (5)2.992 (9)138.49 (51)
N4B—H7N···O42B0.972.385 (6)2.820 (10)106.78 (50)
N4B—H7N···O81B0.972.089 (5)2.895 (10)139.63 (48)
N4B—H8N···O51B0.962.122 (5)2.855 (10)132.53 (52)
Symmetry code: (i) x, y, z1.
 

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.

References

First citationBöschen, I., Buss, B. & Krebs, B. (1974). Acta Cryst. B30, 48–56.  CrossRef IUCr Journals Web of Science Google Scholar
First citationBriceño, A. & Atencio, R. (2004). Acta Cryst. E60, i47–i49.  Web of Science CrossRef IUCr Journals Google Scholar
First citationBurla, M. C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano, G. L., De Caro, L., Giacovazzo, C., Polidori, G. & Spagna, R. (2005). J. Appl. Cryst. 38, 381–388.  Web of Science CrossRef CAS IUCr Journals Google Scholar
First citationChakrabarti, S. & Natarajan, S. (2002). Cryst. Growth Des. 2, 333–335.  Web of Science CSD CrossRef CAS Google Scholar
First citationFarrugia, L. J. (1997). J. Appl. Cryst. 30, 565.  CrossRef IUCr Journals Google Scholar
First citationFarrugia, L. J. (1999). J. Appl. Cryst. 32, 837–838.  CrossRef CAS IUCr Journals Google Scholar
First citationFlack, H. D. (1983). Acta Cryst. A39, 876–881.  CrossRef CAS Web of Science IUCr Journals Google Scholar
First citationHarrison, W. T. A., Stucky, G. D. & Gier, T. E. (1993). Acta Cryst. C49, 1900–1902.  CSD CrossRef CAS Web of Science IUCr Journals Google Scholar
First citationHsieh, T.-C., Shaikh, S. N. & Zubieta, J. (1987). Inorg. Chem. 26, 4079–4089.  CSD CrossRef CAS Web of Science Google Scholar
First citationLindqvist, I. (1950). Ark. Kemi, 3, 349–355.  Google Scholar
First citationLiu, Y.-H. & Guo, G.-L. (2007). Acta Cryst. E63, m604–m606.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationLiu, H., Zhang, Y. & Yu, D. (2008). Acta Cryst. E64, m305–m306.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationLiu, B., Zhou, S., Li, C.-B. & Liu, T.-T. (2006). Acta Cryst. E62, m3117–m3118.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationNelson, J. R., Narducci Sarjeant, A. & Norquist, A. J. (2006). Acta Cryst. E62, m1731–m1733.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationNelson, J. H., Narducci Sarjeant, A. & Norquist, A. J. (2007). Acta Cryst. E63, m1442–m1444.  Web of Science CSD CrossRef CAS IUCr Journals Google Scholar
First citationNiven, M. L., Cruywagen, J. J. & Heyns, J. B. B. (1991). J. Chem. Soc. Dalton Trans. pp. 2007–2010.  CSD CrossRef Web of Science Google Scholar
First citationNonius (1998). KappaCCD Server Software. Nonius BV, Delft, The Netherlands.  Google Scholar
First citationOtwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307–326. New York: Academic Press.  Google Scholar
First citationRarig, R. S. & Zubieta, J. (2001). Inorg. Chim. Acta, 312, 188–196.  Web of Science CSD CrossRef CAS Google Scholar
First citationRomán, P., San José, A., Luque, A. & Gutiérrez-Zorrilla, J. M. (1994). Acta Cryst. C50, 1031–1034.  CSD CrossRef Web of Science IUCr Journals Google Scholar
First citationSheldrick, G. M. (2008). Acta Cryst. A64, 112–122.  Web of Science CrossRef CAS IUCr Journals Google Scholar
First citationSpek, A. L. (2003). J. Appl. Cryst. 36, 7–13.  Web of Science CrossRef CAS IUCr Journals Google Scholar
First citationSun, D.-W., Zhang, Q. & Zhai, H.-J. (2006). Acta Cryst. E62, m2770–m2772.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationThorn, K. J., Narducci Sarjeant, A. & Norquist, A. J. (2005). Acta Cryst. E61, m1665–m1667.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationWu, C.-D., Lu, C.-Z., Zhuang, H.-H. & Huang, J.-S. (2001). Acta Cryst. E57, m349–m351.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationXiao, D., An, H., Wang, E. & Xu, L. (2005). J. Mol. Struct. 738, 217–225.  Web of Science CSD CrossRef CAS Google Scholar
First citationXu, L., Qin, C., Wang, X., Wei, Y. & Wang, E. (2003). Inorg. Chem. 42, 7342–7344.  Web of Science CSD CrossRef PubMed CAS Google Scholar
First citationYan, Y., Wu, C.-D., Liu, J.-H., Zhang, Q.-Z. & Lu, C.-Z. (2003). Acta Cryst. E59, m102–m104.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationZhang, S.-F., Sun, Y.-Q. & Yang, G.-Y. (2004). Acta Cryst. C60, m299–m301.  Web of Science CSD CrossRef CAS IUCr Journals Google Scholar

This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890
Volume 64| Part 3| March 2008| Pages m474-m475
Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds