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The title compound, μ-terephthalate-bis­[tris(μ-N,N′-di-p-anisyl­formamidinate)­dimolybdenum(II)] hexane disolvate, [{Mo2(DAniF)3}2(μ-O2CC6H4CO2)] (DAniF is N,N′-di-p-anisyl­formamidinate, C15H15N2O2) crystallizes as the bis­(hexane) solvate, in the form of large red needles, in space group P21/c. The mol­ecule sits on an inversion center, and the bridging aryl ring displays a twist angle of 8.6 (10)° with respect to the plane defined by the two Mo2 axes.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680200884X/wn6096sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680200884X/wn6096Isup2.hkl
Contains datablock I

CCDC reference: 189304

Key indicators

  • Single-crystal X-ray study
  • T = 213 K
  • Mean [sigma](C-C) = 0.010 Å
  • H-atom completeness 78%
  • Disorder in solvent or counterion
  • R factor = 0.057
  • wR factor = 0.166
  • Data-to-parameter ratio = 14.5

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


Yellow Alert Alert Level C:
PLAT_202 Alert C Isotropic non-H Atoms in Anion/Solvent = 8 PLAT_302 Alert C Anion/Solvent Disorder ....................... 67.00 Perc. General Notes
FORMU_01 There is a discrepancy between the atom counts in the _chemical_formula_sum and the formula from the _atom_site* data. Atom count from _chemical_formula_sum:C110 H122 Mo4 N12 O16 Atom count from the _atom_site data: C110 H94 Mo4 N12 O16 CELLZ_01 From the CIF: _cell_formula_units_Z 2 From the CIF: _chemical_formula_sum C110 H122 Mo4 N12 O16 TEST: Compare cell contents of formula and atom_site data atom Z*formula cif sites diff C 220.00 220.00 0.00 H 244.00 188.00 56.00 Mo 8.00 8.00 0.00 N 24.00 24.00 0.00 O 32.00 32.00 0.00 Difference between formula and atom_site contents detected. WARNING: H atoms missing from atom site list. Is this intentional? CHEMW_03 From the CIF: _cell_formula_units_Z 2 From the CIF: _chemical_formula_weight 2251.96 TEST: Calculate formula weight from _atom_site_* atom mass num sum C 12.01 110.00 1321.21 H 1.01 94.00 94.75 N 14.01 12.00 168.08 O 16.00 16.00 255.98 Mo 95.94 4.00 383.76 Calculated formula weight 2223.79 The ratio of given/expected molecular weight as calculated from the _atom_site* data lies outside the range 0.99 <> 1.01
0 Alert Level A = Potentially serious problem
0 Alert Level B = Potential problem
2 Alert Level C = Please check

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Siemens, 1996); software used to prepare material for publication: CIFTAB.

µ-terephthalate-bis[tris(µ-N,N'-di-p-anisylformamidinate)dimolybdenum(II)] hexane disolvate top
Crystal data top
[Mo4(C15H15N2O2)6(C8H4O4)]·2C6H14Dx = 1.463 Mg m3
Mr = 2251.96Melting point: not measured K
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
a = 14.6579 (15) ÅCell parameters from 5933 reflections
b = 18.1630 (19) Åθ = 2.2–24.8°
c = 19.268 (2) ŵ = 0.55 mm1
β = 94.621 (2)°T = 213 K
V = 5113.2 (9) Å3Needle, red
Z = 20.46 × 0.15 × 0.08 mm
F(000) = 2324
Data collection top
Bruker SMART 1000 area-detector
diffractometer
9046 independent reflections
Radiation source: normal-focus sealed tube5610 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.069
ω scansθmax = 25.1°, θmin = 1.8°
Absorption correction: multi-scan
(SADABS; Blessing, 1995)
h = 1017
Tmin = 0.788, Tmax = 0.958k = 2121
29479 measured reflectionsl = 2222
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.057Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.166H-atom parameters constrained
S = 1.04 w = 1/[σ2(Fo2) + (0.0798P)2 + 6.2815P]
where P = (Fo2 + 2Fc2)/3
9046 reflections(Δ/σ)max = 0.029
626 parametersΔρmax = 1.11 e Å3
0 restraintsΔρmin = 0.63 e Å3
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*/UeqOcc. (<1)
Mo10.76429 (4)0.94095 (3)0.21677 (3)0.02826 (17)
Mo20.83888 (4)0.84297 (3)0.21500 (3)0.02743 (16)
O10.8413 (3)0.9882 (2)0.1379 (2)0.0282 (10)
O20.9205 (3)0.8834 (2)0.1373 (2)0.0294 (10)
O30.3551 (3)1.0677 (2)0.0516 (2)0.0441 (12)
O40.8633 (4)0.5583 (2)0.0245 (2)0.0492 (13)
O5A0.5122 (14)1.1146 (12)0.4542 (9)0.082 (3)*0.46 (2)
C27A0.457 (3)1.1633 (19)0.4220 (16)0.120 (7)*0.46 (2)
H27A0.49021.18940.38780.180*0.46 (2)
H27B0.43681.19800.45560.180*0.46 (2)
H27C0.40501.13820.39880.180*0.46 (2)
O5B0.4822 (13)1.0920 (10)0.4405 (8)0.082 (3)*0.54 (2)
C27B0.411 (2)1.1319 (16)0.4139 (14)0.120 (7)*0.54 (2)
H27D0.42871.15970.37420.180*0.54 (2)
H27E0.39211.16560.44910.180*0.54 (2)
H27F0.36051.09940.39930.180*0.54 (2)
O60.7797 (4)0.4857 (3)0.2999 (3)0.0652 (16)
O70.8562 (4)1.2802 (2)0.3953 (3)0.0583 (15)
O81.2097 (4)0.7043 (3)0.4239 (3)0.0714 (17)
N10.6666 (3)0.9034 (3)0.1348 (3)0.0317 (12)
N20.7536 (4)0.7983 (3)0.1301 (2)0.0305 (12)
N30.6823 (4)0.9010 (3)0.2945 (3)0.0367 (13)
N40.7617 (4)0.7924 (3)0.2902 (3)0.0336 (13)
N50.8591 (4)0.9915 (2)0.2936 (2)0.0284 (12)
N60.9382 (3)0.8818 (3)0.2938 (2)0.0278 (12)
C10.9018 (4)0.9479 (3)0.1138 (3)0.0266 (14)
C20.9525 (4)0.9742 (3)0.0557 (3)0.0292 (14)
C30.9441 (4)1.0471 (3)0.0326 (3)0.0352 (16)
H30.90571.07940.05470.042*
C41.0096 (4)0.9277 (3)0.0213 (3)0.0354 (16)
H41.01630.87830.03540.043*
C50.6847 (4)0.8399 (3)0.1049 (3)0.0316 (15)
H50.64810.82430.06530.038*
C60.5848 (5)0.9408 (3)0.1128 (3)0.0323 (15)
C70.5046 (5)0.9069 (4)0.0903 (4)0.0400 (17)
H70.50220.85520.08910.048*
C80.4259 (5)0.9474 (4)0.0691 (4)0.0463 (18)
H80.37220.92290.05210.056*
C90.4270 (4)1.0227 (4)0.0731 (3)0.0354 (15)
C100.5061 (5)1.0576 (4)0.0981 (4)0.0436 (18)
H100.50771.10920.10150.052*
C110.5828 (5)1.0171 (4)0.1182 (4)0.0431 (18)
H110.63591.04180.13620.052*
C120.2711 (5)1.0336 (4)0.0288 (4)0.0497 (19)
H12A0.27831.00670.01390.075*
H12B0.22421.07090.02040.075*
H12C0.25340.99980.06430.075*
C130.7802 (4)0.7373 (3)0.0898 (3)0.0313 (15)
C140.7931 (5)0.7424 (3)0.0204 (3)0.0379 (16)
H140.78320.78770.00260.045*
C150.8202 (5)0.6828 (4)0.0159 (3)0.0422 (18)
H150.82740.68730.06380.051*
C160.8373 (5)0.6155 (4)0.0168 (3)0.0376 (16)
C170.8249 (5)0.6092 (4)0.0863 (3)0.0410 (17)
H170.83510.56380.10900.049*
C180.7974 (5)0.6696 (3)0.1229 (3)0.0405 (17)
H180.79010.66510.17080.049*
C190.8692 (7)0.4872 (4)0.0049 (4)0.063 (2)
H19A0.91160.48790.04630.095*
H19B0.89070.45280.02860.095*
H19C0.80920.47200.01750.095*
C200.6965 (5)0.8319 (3)0.3161 (3)0.0386 (17)
H200.66050.81140.34940.046*
C210.6273 (5)0.9476 (4)0.3327 (4)0.0414 (17)
C220.6430 (6)0.9545 (4)0.4037 (4)0.058 (2)
H220.68620.92330.42740.069*
C230.5975 (7)1.0056 (5)0.4415 (5)0.074 (3)
H230.60831.00910.49020.088*
C240.5355 (7)1.0514 (5)0.4047 (6)0.080 (3)
C250.5172 (6)1.0441 (5)0.3342 (5)0.076 (3)
H250.47331.07460.31030.091*
C260.5626 (6)0.9927 (5)0.2984 (4)0.060 (2)
H260.54980.98800.25000.073*
C280.7654 (5)0.7140 (3)0.3008 (3)0.0335 (16)
C290.8500 (5)0.6803 (4)0.3115 (4)0.0437 (18)
H290.90290.70950.31850.052*
C300.8581 (5)0.6046 (4)0.3119 (4)0.0463 (18)
H300.91600.58230.31920.056*
C310.7802 (6)0.5619 (4)0.3016 (4)0.0460 (19)
C320.6955 (5)0.5946 (4)0.2947 (4)0.0488 (19)
H320.64230.56550.29100.059*
C330.6890 (5)0.6706 (4)0.2933 (4)0.0434 (18)
H330.63100.69280.28700.052*
C340.8618 (7)0.4514 (4)0.2907 (6)0.084 (3)
H34A0.88330.46650.24650.125*
H34B0.85330.39840.29080.125*
H34C0.90670.46510.32820.125*
C350.9278 (5)0.9495 (3)0.3177 (3)0.0309 (15)
H350.97040.96800.35250.037*
C360.8579 (5)1.0660 (3)0.3178 (3)0.0303 (14)
C370.9381 (5)1.1063 (3)0.3344 (3)0.0363 (16)
H370.99511.08520.32710.044*
C380.9348 (5)1.1762 (3)0.3609 (4)0.0409 (17)
H380.98941.20170.37370.049*
C390.8518 (5)1.2090 (3)0.3689 (3)0.0408 (17)
C400.7731 (5)1.1715 (4)0.3505 (4)0.0477 (19)
H400.71641.19410.35580.057*
C410.7756 (5)1.1002 (3)0.3239 (4)0.0407 (17)
H410.72071.07560.31010.049*
C420.7717 (6)1.3163 (4)0.4040 (5)0.075 (3)
H42A0.73491.31730.35980.113*
H42B0.78351.36630.41990.113*
H42C0.73901.28990.43810.113*
C431.0078 (4)0.8380 (3)0.3271 (3)0.0311 (15)
C441.0572 (5)0.7902 (3)0.2876 (3)0.0410 (17)
H441.04460.78950.23900.049*
C451.1244 (5)0.7436 (4)0.3177 (4)0.0434 (18)
H451.15550.71070.29020.052*
C461.1443 (5)0.7466 (4)0.3888 (4)0.0470 (19)
C471.0954 (6)0.7922 (4)0.4287 (4)0.051 (2)
H471.10800.79250.47740.061*
C481.0285 (5)0.8372 (3)0.3987 (3)0.0391 (17)
H480.99610.86820.42700.047*
C491.2628 (6)0.6613 (4)0.3859 (5)0.068 (3)
H49A1.22470.62560.35970.102*
H49B1.30760.63570.41690.102*
H49C1.29400.69180.35400.102*
C1S0.4483 (16)0.7549 (14)0.2309 (12)0.147 (8)*0.70
C2S0.4278 (19)0.8017 (15)0.3108 (17)0.151 (9)*0.70
C3S0.4559 (15)0.7792 (12)0.3668 (13)0.119 (7)*0.65
C4S0.4897 (15)0.7643 (11)0.4378 (11)0.125 (7)*0.65
C5S0.4223 (19)0.8080 (16)0.2635 (16)0.179 (10)*0.80
C6S0.364 (2)0.8623 (18)0.3067 (17)0.167 (11)*0.60
C7S0.406 (2)0.8499 (16)0.3892 (15)0.163 (10)*0.60
C8S0.3140 (15)0.8970 (12)0.3515 (13)0.147 (7)*0.80
C9S0.318 (2)0.8695 (19)0.3933 (18)0.139 (11)*0.50
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Mo10.0294 (3)0.0263 (3)0.0289 (3)0.0025 (2)0.0009 (2)0.0018 (2)
Mo20.0311 (3)0.0238 (3)0.0268 (3)0.0017 (2)0.0010 (2)0.0018 (2)
O10.030 (3)0.023 (2)0.031 (2)0.0026 (19)0.0023 (19)0.0040 (18)
O20.031 (3)0.026 (2)0.031 (2)0.0007 (19)0.0024 (19)0.0039 (18)
O30.031 (3)0.043 (3)0.058 (3)0.002 (2)0.004 (2)0.005 (2)
O40.072 (4)0.039 (3)0.038 (3)0.010 (3)0.008 (2)0.006 (2)
O60.075 (4)0.034 (3)0.090 (4)0.006 (3)0.022 (3)0.007 (3)
O70.071 (4)0.032 (3)0.072 (4)0.003 (3)0.003 (3)0.017 (3)
O80.077 (4)0.065 (4)0.068 (4)0.034 (3)0.013 (3)0.006 (3)
N10.030 (3)0.031 (3)0.032 (3)0.001 (2)0.008 (2)0.003 (2)
N20.035 (3)0.025 (3)0.031 (3)0.003 (2)0.004 (2)0.000 (2)
N30.038 (4)0.035 (3)0.039 (3)0.002 (3)0.010 (3)0.003 (3)
N40.045 (4)0.028 (3)0.028 (3)0.000 (3)0.002 (3)0.002 (2)
N50.035 (3)0.021 (2)0.030 (3)0.003 (2)0.002 (2)0.001 (2)
N60.034 (3)0.024 (3)0.025 (3)0.002 (2)0.004 (2)0.001 (2)
C10.028 (4)0.024 (3)0.027 (3)0.001 (3)0.005 (3)0.004 (3)
C20.024 (4)0.029 (3)0.033 (3)0.003 (3)0.001 (3)0.005 (3)
C30.035 (4)0.035 (4)0.036 (4)0.014 (3)0.010 (3)0.004 (3)
C40.036 (4)0.026 (3)0.045 (4)0.005 (3)0.005 (3)0.009 (3)
C50.035 (4)0.029 (3)0.030 (3)0.004 (3)0.004 (3)0.000 (3)
C60.036 (4)0.032 (3)0.028 (3)0.003 (3)0.001 (3)0.001 (3)
C70.035 (4)0.030 (3)0.055 (4)0.001 (3)0.000 (3)0.002 (3)
C80.031 (4)0.045 (4)0.061 (5)0.007 (3)0.003 (4)0.004 (4)
C90.027 (4)0.040 (4)0.038 (4)0.002 (3)0.001 (3)0.003 (3)
C100.042 (5)0.032 (4)0.056 (5)0.002 (3)0.001 (4)0.001 (3)
C110.037 (5)0.041 (4)0.050 (4)0.005 (3)0.001 (3)0.001 (3)
C120.038 (5)0.057 (5)0.053 (5)0.005 (4)0.002 (4)0.012 (4)
C130.027 (4)0.031 (3)0.035 (4)0.001 (3)0.002 (3)0.002 (3)
C140.054 (5)0.029 (3)0.030 (3)0.004 (3)0.003 (3)0.008 (3)
C150.061 (5)0.042 (4)0.024 (3)0.001 (4)0.004 (3)0.002 (3)
C160.038 (4)0.039 (4)0.036 (4)0.001 (3)0.001 (3)0.004 (3)
C170.055 (5)0.032 (4)0.035 (4)0.007 (3)0.003 (3)0.001 (3)
C180.053 (5)0.038 (4)0.030 (4)0.002 (3)0.002 (3)0.005 (3)
C190.100 (7)0.038 (4)0.051 (5)0.019 (4)0.002 (5)0.006 (4)
C200.051 (5)0.035 (4)0.031 (4)0.001 (3)0.011 (3)0.007 (3)
C210.037 (4)0.039 (4)0.050 (4)0.001 (3)0.012 (3)0.008 (3)
C220.060 (6)0.061 (5)0.052 (5)0.018 (4)0.010 (4)0.004 (4)
C230.077 (7)0.085 (7)0.060 (6)0.037 (6)0.018 (5)0.001 (5)
C240.072 (7)0.088 (7)0.088 (7)0.035 (6)0.052 (6)0.003 (6)
C250.054 (6)0.094 (7)0.082 (7)0.035 (5)0.021 (5)0.025 (6)
C260.049 (5)0.075 (6)0.058 (5)0.019 (5)0.006 (4)0.006 (4)
C280.048 (5)0.027 (3)0.027 (3)0.001 (3)0.009 (3)0.007 (3)
C290.040 (5)0.039 (4)0.052 (4)0.009 (3)0.002 (4)0.003 (3)
C300.045 (5)0.042 (4)0.050 (5)0.007 (4)0.003 (4)0.009 (3)
C310.063 (6)0.034 (4)0.041 (4)0.002 (4)0.008 (4)0.010 (3)
C320.047 (5)0.040 (4)0.061 (5)0.004 (4)0.011 (4)0.010 (4)
C330.044 (5)0.037 (4)0.050 (4)0.003 (3)0.007 (4)0.009 (3)
C340.084 (8)0.042 (5)0.126 (9)0.016 (5)0.019 (6)0.000 (5)
C350.042 (4)0.026 (3)0.024 (3)0.002 (3)0.004 (3)0.001 (3)
C360.039 (4)0.024 (3)0.028 (3)0.006 (3)0.000 (3)0.000 (3)
C370.039 (4)0.032 (4)0.037 (4)0.007 (3)0.000 (3)0.005 (3)
C380.042 (5)0.032 (4)0.047 (4)0.002 (3)0.006 (3)0.002 (3)
C390.059 (5)0.028 (3)0.036 (4)0.002 (3)0.004 (3)0.004 (3)
C400.046 (5)0.033 (4)0.065 (5)0.008 (3)0.005 (4)0.008 (4)
C410.034 (4)0.032 (4)0.056 (5)0.000 (3)0.002 (3)0.002 (3)
C420.075 (7)0.039 (4)0.110 (8)0.011 (5)0.000 (6)0.022 (5)
C430.033 (4)0.026 (3)0.033 (4)0.004 (3)0.000 (3)0.002 (3)
C440.059 (5)0.030 (3)0.033 (4)0.008 (3)0.002 (3)0.003 (3)
C450.049 (5)0.035 (4)0.046 (4)0.014 (3)0.000 (4)0.006 (3)
C460.055 (5)0.034 (4)0.049 (4)0.010 (4)0.011 (4)0.009 (3)
C470.075 (6)0.044 (4)0.032 (4)0.018 (4)0.006 (4)0.003 (3)
C480.051 (5)0.033 (3)0.032 (4)0.010 (3)0.003 (3)0.003 (3)
C490.056 (6)0.055 (5)0.089 (7)0.021 (4)0.013 (5)0.001 (5)
Geometric parameters (Å, º) top
Mo1—Mo22.0904 (7)C10—C111.372 (9)
Mo1—N32.123 (5)C13—C141.370 (8)
Mo1—O12.144 (4)C13—C181.399 (8)
Mo1—N52.152 (5)C14—C151.366 (9)
Mo1—N12.155 (5)C15—C161.389 (9)
Mo2—N42.119 (5)C16—C171.369 (9)
Mo2—O22.122 (4)C17—C181.383 (9)
Mo2—N62.137 (5)C21—C221.375 (10)
Mo2—N22.137 (5)C21—C261.381 (10)
O1—C11.266 (7)C22—C231.384 (11)
O2—C11.279 (6)C23—C241.385 (12)
O3—C91.371 (7)C24—C251.370 (13)
O3—C121.416 (8)C25—C261.365 (11)
O4—C161.383 (7)C28—C331.367 (9)
O4—C191.410 (8)C28—C291.383 (9)
O5A—C27A1.32 (3)C29—C301.381 (9)
O5A—C241.55 (2)C30—C311.383 (10)
O5B—C241.310 (16)C31—C321.372 (10)
O5B—C27B1.34 (3)C32—C331.384 (9)
O6—C341.380 (10)C36—C411.371 (9)
O6—C311.384 (8)C36—C371.401 (9)
O7—C391.389 (7)C37—C381.370 (9)
O7—C421.423 (10)C38—C391.375 (10)
O8—C491.357 (9)C39—C401.361 (10)
O8—C461.364 (8)C40—C411.394 (9)
N1—C51.327 (7)C43—C481.388 (8)
N1—C61.413 (8)C43—C441.395 (9)
N2—C51.322 (8)C44—C451.390 (9)
N2—C131.425 (7)C45—C461.379 (9)
N3—C201.333 (8)C46—C471.371 (10)
N3—C211.415 (8)C47—C481.369 (9)
N4—C201.324 (8)C1S—C5S1.23 (3)
N4—C281.439 (7)C1S—C2S1.80 (4)
N5—C351.317 (8)C2S—C5S0.92 (3)
N5—C361.433 (7)C2S—C3S1.19 (3)
N6—C351.326 (7)C2S—C6S1.44 (4)
N6—C431.408 (8)C2S—C7S1.80 (4)
C1—C21.473 (8)C3S—C4S1.44 (3)
C2—C41.395 (8)C3S—C7S1.55 (3)
C2—C31.398 (8)C5S—C6S1.59 (4)
C3—C4i1.364 (9)C6S—C8S1.34 (3)
C4—C3i1.364 (9)C6S—C7S1.67 (4)
C6—C71.367 (9)C6S—C9S1.86 (5)
C6—C111.389 (9)C7S—C9S1.35 (4)
C7—C81.402 (9)C7S—C8S1.71 (4)
C8—C91.370 (9)C8S—C9S0.94 (3)
C9—C101.375 (9)
Mo2—Mo1—N392.69 (14)O5B—C24—C25119.9 (12)
Mo2—Mo1—O191.33 (11)O5B—C24—C23117.6 (11)
N3—Mo1—O1175.97 (18)C25—C24—C23121.2 (8)
Mo2—Mo1—N593.70 (13)O5B—C24—O5A24.2 (9)
N3—Mo1—N591.8 (2)C25—C24—O5A130.3 (11)
O1—Mo1—N588.23 (17)C23—C24—O5A107.3 (11)
Mo2—Mo1—N192.10 (14)C26—C25—C24120.1 (8)
N3—Mo1—N191.6 (2)C25—C26—C21120.6 (8)
O1—Mo1—N187.95 (17)C33—C28—C29118.6 (6)
N5—Mo1—N1173.13 (18)C33—C28—N4122.3 (6)
Mo1—Mo2—N492.81 (14)C29—C28—N4118.8 (6)
Mo1—Mo2—O292.45 (11)C30—C29—C28121.1 (7)
N4—Mo2—O2174.51 (17)C29—C30—C31119.3 (7)
Mo1—Mo2—N691.96 (13)C32—C31—C30120.1 (7)
N4—Mo2—N691.58 (19)C32—C31—O6115.3 (7)
O2—Mo2—N689.82 (17)C30—C31—O6124.5 (7)
Mo1—Mo2—N293.49 (13)C31—C32—C33119.6 (7)
N4—Mo2—N292.7 (2)C28—C33—C32121.2 (7)
O2—Mo2—N285.39 (17)N5—C35—N6121.3 (6)
N6—Mo2—N2172.9 (2)C41—C36—C37118.2 (6)
C1—O1—Mo1116.9 (4)C41—C36—N5119.4 (6)
C1—O2—Mo2116.7 (4)C37—C36—N5122.4 (6)
C9—O3—C12117.4 (5)C38—C37—C36121.0 (6)
C16—O4—C19117.8 (5)C37—C38—C39120.1 (7)
C27A—O5A—C24111.3 (18)C40—C39—C38119.5 (6)
C24—O5B—C27B125.7 (18)C40—C39—O7125.0 (7)
C34—O6—C31116.9 (7)C38—C39—O7115.4 (6)
C39—O7—C42117.2 (6)C39—C40—C41120.9 (7)
C49—O8—C46117.9 (6)C36—C41—C40120.1 (6)
C5—N1—C6118.8 (5)C48—C43—C44117.0 (6)
C5—N1—Mo1116.7 (4)C48—C43—N6123.4 (6)
C6—N1—Mo1124.5 (4)C44—C43—N6119.5 (5)
C5—N2—C13118.6 (5)C45—C44—C43122.2 (6)
C5—N2—Mo2116.6 (4)C46—C45—C44118.5 (6)
C13—N2—Mo2122.9 (4)O8—C46—C47116.1 (6)
C20—N3—C21118.8 (5)O8—C46—C45123.6 (7)
C20—N3—Mo1117.3 (4)C47—C46—C45120.2 (7)
C21—N3—Mo1122.7 (4)C48—C47—C46120.8 (6)
C20—N4—C28120.2 (5)C47—C48—C43121.2 (6)
C20—N4—Mo2117.7 (4)C5S—C1S—C2S27.7 (17)
C28—N4—Mo2120.6 (4)C5S—C2S—C3S160 (4)
C35—N5—C36117.4 (5)C5S—C2S—C6S81 (3)
C35—N5—Mo1115.4 (4)C3S—C2S—C6S119 (3)
C36—N5—Mo1127.1 (4)C5S—C2S—C7S140 (4)
C35—N6—C43117.8 (5)C3S—C2S—C7S58.6 (19)
C35—N6—Mo2117.5 (4)C6S—C2S—C7S61.1 (19)
C43—N6—Mo2124.3 (4)C5S—C2S—C1S39 (3)
O1—C1—O2122.5 (5)C3S—C2S—C1S123 (3)
O1—C1—C2120.1 (5)C6S—C2S—C1S118 (3)
O2—C1—C2117.3 (5)C7S—C2S—C1S179 (3)
C4—C2—C3117.6 (6)C2S—C3S—C4S171 (3)
C4—C2—C1121.6 (5)C2S—C3S—C7S80 (2)
C3—C2—C1120.9 (5)C4S—C3S—C7S91.4 (19)
C4i—C3—C2121.7 (6)C2S—C5S—C1S114 (4)
C3i—C4—C2120.8 (6)C2S—C5S—C6S64 (3)
N2—C5—N1120.7 (6)C1S—C5S—C6S164 (3)
C7—C6—C11116.8 (6)C8S—C6S—C2S135 (3)
C7—C6—N1124.4 (6)C8S—C6S—C5S169 (3)
C11—C6—N1118.6 (6)C2S—C6S—C5S34.8 (16)
C6—C7—C8121.5 (6)C8S—C6S—C7S68 (2)
C9—C8—C7120.1 (6)C2S—C6S—C7S70 (2)
C8—C9—O3124.9 (6)C5S—C6S—C7S104 (3)
C8—C9—C10119.1 (6)C8S—C6S—C9S29.0 (16)
O3—C9—C10115.9 (6)C2S—C6S—C9S107 (3)
C11—C10—C9120.0 (6)C5S—C6S—C9S140 (3)
C10—C11—C6122.4 (7)C7S—C6S—C9S44.7 (15)
C14—C13—C18118.1 (6)C9S—C7S—C3S135 (3)
C14—C13—N2123.0 (6)C9S—C7S—C6S75 (2)
C18—C13—N2118.9 (6)C3S—C7S—C6S90 (2)
C15—C14—C13121.0 (6)C9S—C7S—C8S33.4 (17)
C14—C15—C16120.9 (6)C3S—C7S—C8S132 (2)
C17—C16—O4124.4 (6)C6S—C7S—C8S46.5 (15)
C17—C16—C15119.0 (6)C9S—C7S—C2S114 (3)
O4—C16—C15116.6 (6)C3S—C7S—C2S41.0 (13)
C16—C17—C18120.0 (6)C6S—C7S—C2S49.0 (16)
C17—C18—C13120.9 (6)C8S—C7S—C2S94.3 (19)
N4—C20—N3119.5 (6)C9S—C8S—C6S108 (4)
C22—C21—C26118.3 (7)C9S—C8S—C7S52 (3)
C22—C21—N3121.0 (6)C6S—C8S—C7S65.3 (19)
C26—C21—N3120.3 (7)C8S—C9S—C7S95 (4)
C21—C22—C23122.5 (8)C8S—C9S—C6S43 (2)
C22—C23—C24117.2 (8)C7S—C9S—C6S60 (2)
Symmetry code: (i) x+2, y+2, z.
 

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