Download citation
Download citation
link to html
The title compound, [Mo(C36H44N4)O]2[Mo6O19], contains a five-coordinate molybdenum–porphycene cationic complex, accompanied by a centrosymmetric hexa­molybdate counter-anion. This is the first structure for a molybdenum porphycene. The shape of the central N4 cavity is recta­ngular, enlarged lengthwise by metal coordination, and the mean short and long N...N distances defining the N4 cavity are 2.582 (9) and 3.031 (9) Å, respectively.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806016461/hb2046sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806016461/hb2046Isup2.hkl
Contains datablock I

CCDC reference: 610783

Key indicators

  • Single-crystal X-ray study
  • T = 223 K
  • Mean [sigma](C-C) = 0.014 Å
  • R factor = 0.064
  • wR factor = 0.168
  • Data-to-parameter ratio = 14.3

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT430_ALERT_2_B Short Inter D...A Contact O2 .. N3 .. 2.86 Ang. PLAT430_ALERT_2_B Short Inter D...A Contact O2 .. N4 .. 2.87 Ang.
Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 3.97 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.25 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.58 Ratio PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Mo1 - O1 .. 5.08 su PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 14 PLAT410_ALERT_2_C Short Intra H...H Contact H23A .. H25A .. 1.99 Ang. PLAT410_ALERT_2_C Short Intra H...H Contact H31B .. H33B .. 1.96 Ang. PLAT430_ALERT_2_C Short Inter D...A Contact O2 .. N1 .. 2.88 Ang. PLAT430_ALERT_2_C Short Inter D...A Contact O2 .. N2 .. 2.88 Ang. PLAT432_ALERT_2_C Short Inter X...Y Contact O3 .. C18 .. 2.96 Ang. PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 68.00 A   3
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 12 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 11 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

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

Bis[(2,3,6,7,12,13,16,17-octaethylporphycenato)oxomolybdenum(V)] hexamolybdate top
Crystal data top
[Mo(C36H44N4)O]2[Mo6O19]Z = 1
Mr = 2169.02F(000) = 1080
Triclinic, P1Dx = 1.836 Mg m3
Hall symbol: -P 1Melting point: not measured K
a = 11.5979 (11) ÅMo Kα radiation, λ = 0.71073 Å
b = 13.4762 (13) ÅCell parameters from 2294 reflections
c = 14.5563 (15) Åθ = 2.6–24.8°
α = 62.426 (2)°µ = 1.31 mm1
β = 77.652 (2)°T = 223 K
γ = 79.594 (2)°Plate, purple
V = 1961.2 (3) Å30.18 × 0.14 × 0.08 mm
Data collection top
Bruker SMART CCD
diffractometer
7157 independent reflections
Radiation source: fine-focus sealed tube4809 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.048
Detector resolution: 8.366 pixels mm-1θmax = 25.4°, θmin = 1.6°
π and ω scansh = 1310
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
k = 1616
Tmin = 0.798, Tmax = 0.902l = 1716
11847 measured reflections
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)] = 0.064Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.168H-atom parameters constrained
S = 0.98 w = 1/[σ2(Fo2) + (0.0945P)2]
where P = (Fo2 + 2Fc2)/3
7157 reflections(Δ/σ)max = 0.001
501 parametersΔρmax = 2.93 e Å3
0 restraintsΔρmin = 0.74 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*/Ueq
C10.4050 (7)0.3595 (7)0.2723 (6)0.0245 (19)
C20.3906 (8)0.4451 (7)0.1692 (6)0.028 (2)
C30.3147 (8)0.4109 (7)0.1303 (6)0.029 (2)
C40.2871 (7)0.2995 (7)0.2079 (6)0.0254 (19)
C50.2244 (8)0.2143 (7)0.2157 (6)0.0237 (18)
C60.1747 (8)0.1917 (7)0.1468 (6)0.028 (2)
C70.1330 (8)0.0874 (7)0.2058 (7)0.0259 (19)
C80.1562 (8)0.0451 (7)0.3102 (7)0.0267 (19)
C90.1230 (8)0.0572 (7)0.3940 (7)0.031 (2)
H90.08760.09870.37230.037*
C100.1287 (8)0.1115 (7)0.4979 (7)0.029 (2)
H100.09680.18120.53060.035*
C110.1715 (7)0.0877 (7)0.5687 (6)0.0253 (19)
C120.1597 (8)0.1589 (7)0.6814 (7)0.0266 (19)
C130.2097 (8)0.1092 (7)0.7255 (7)0.033 (2)
C140.2501 (8)0.0053 (7)0.6400 (6)0.0250 (19)
C150.3122 (8)0.0812 (7)0.6302 (6)0.0261 (19)
C160.3506 (8)0.1116 (7)0.6989 (7)0.028 (2)
C170.4217 (8)0.2014 (7)0.6352 (7)0.028 (2)
C180.4214 (7)0.2244 (7)0.5283 (6)0.0263 (19)
C190.4779 (8)0.3137 (7)0.4433 (7)0.0276 (19)
H190.53260.34170.46250.033*
C200.4706 (8)0.3697 (7)0.3367 (7)0.031 (2)
H200.52140.42730.29980.037*
C210.4440 (8)0.5554 (7)0.1158 (6)0.032 (2)
H21A0.52260.54370.13570.038*
H21B0.45440.58150.03970.038*
C220.3710 (10)0.6447 (8)0.1419 (8)0.052 (3)
H22A0.29660.66350.11480.079*
H22B0.41380.71110.11070.079*
H22C0.35530.61760.21740.079*
C230.2581 (9)0.4849 (7)0.0331 (6)0.033 (2)
H23A0.26470.44400.00890.040*
H23B0.30130.55190.00920.040*
C240.1289 (9)0.5211 (9)0.0587 (8)0.048 (3)
H24A0.08690.45520.10480.071*
H24B0.09440.56230.00550.071*
H24C0.12260.56900.09320.071*
C250.1746 (9)0.2603 (9)0.0308 (7)0.043 (3)
H25A0.14880.33900.01550.052*
H25B0.11830.23300.00820.052*
C260.2981 (11)0.2521 (10)0.0295 (8)0.058 (3)
H26A0.35440.27600.00490.087*
H26B0.29720.30030.10370.087*
H26C0.32110.17500.01840.087*
C270.0759 (9)0.0245 (8)0.1668 (8)0.040 (2)
H27A0.01150.01470.22080.049*
H27B0.04100.07870.10430.049*
C280.1617 (11)0.0597 (9)0.1404 (9)0.054 (3)
H28A0.23000.02310.09280.080*
H28B0.12330.09020.10730.080*
H28C0.18720.12010.20410.080*
C290.1053 (9)0.2697 (7)0.7357 (7)0.036 (2)
H29A0.04320.26610.69770.043*
H29B0.06820.28220.80680.043*
C300.1967 (10)0.3681 (8)0.7415 (8)0.047 (3)
H30A0.23580.35480.67140.071*
H30B0.15750.43670.77310.071*
H30C0.25500.37560.78370.071*
C310.2300 (9)0.1600 (8)0.8364 (7)0.035 (2)
H31A0.18030.22220.87910.042*
H31B0.20700.10350.86330.042*
C320.3606 (10)0.2036 (8)0.8457 (8)0.049 (3)
H32A0.38170.26350.82410.073*
H32B0.37270.23220.91790.073*
H32C0.41000.14270.80110.073*
C330.3146 (9)0.0755 (8)0.8142 (7)0.035 (2)
H33A0.36760.10360.83920.042*
H33B0.32240.00680.85140.042*
C340.1877 (10)0.1196 (10)0.8382 (8)0.050 (3)
H34A0.18250.20080.81060.076*
H34B0.16300.08660.91350.076*
H34C0.13640.09980.80590.076*
C350.4866 (9)0.2611 (9)0.6709 (7)0.040 (2)
H35A0.49050.33970.61860.049*
H35B0.44380.26000.73710.049*
C360.6053 (12)0.2070 (12)0.6852 (11)0.078 (4)
H36A0.60150.12780.73250.118*
H36B0.64370.24160.71460.118*
H36C0.65030.21550.61810.118*
Mo10.32309 (6)0.11342 (6)0.41409 (5)0.0216 (2)
Mo20.07639 (7)0.34445 (6)0.47186 (6)0.0254 (2)
Mo30.18862 (7)0.47653 (6)0.48692 (6)0.0287 (2)
Mo40.03248 (7)0.38596 (6)0.67966 (6)0.0298 (2)
N10.3404 (6)0.2729 (5)0.2940 (5)0.0260 (16)
N20.2144 (6)0.1219 (5)0.3148 (5)0.0214 (15)
N30.2283 (6)0.0028 (5)0.5479 (5)0.0244 (16)
N40.3548 (6)0.1533 (5)0.5263 (5)0.0225 (15)
O10.4427 (6)0.0366 (5)0.3927 (5)0.0404 (16)
O20.1314 (5)0.2315 (5)0.4491 (5)0.0297 (14)
O30.2125 (5)0.3930 (5)0.4871 (5)0.0307 (14)
O40.0330 (6)0.2802 (4)0.6208 (4)0.0304 (14)
O50.0905 (5)0.3571 (5)0.4635 (5)0.0280 (14)
O60.0882 (5)0.4679 (5)0.3308 (4)0.0298 (14)
O70.1265 (5)0.5771 (5)0.3437 (4)0.0302 (14)
O80.1783 (6)0.3891 (5)0.6325 (5)0.0364 (16)
O90.0557 (6)0.3021 (5)0.8094 (5)0.0428 (17)
O100.3252 (6)0.4622 (6)0.4757 (6)0.0451 (17)
O110.00000.50000.50000.0208 (17)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.022 (5)0.026 (4)0.027 (5)0.014 (4)0.007 (4)0.013 (4)
C20.031 (5)0.027 (5)0.026 (5)0.013 (4)0.008 (4)0.013 (4)
C30.029 (5)0.030 (5)0.024 (4)0.004 (4)0.002 (4)0.010 (4)
C40.025 (5)0.030 (5)0.025 (4)0.003 (4)0.005 (4)0.015 (4)
C50.028 (5)0.023 (4)0.024 (4)0.013 (4)0.000 (3)0.012 (4)
C60.029 (5)0.039 (5)0.020 (4)0.014 (4)0.001 (4)0.014 (4)
C70.027 (5)0.026 (4)0.030 (5)0.010 (4)0.002 (4)0.015 (4)
C80.023 (5)0.025 (4)0.033 (5)0.006 (4)0.000 (4)0.014 (4)
C90.042 (6)0.030 (5)0.030 (5)0.016 (4)0.001 (4)0.017 (4)
C100.037 (6)0.027 (5)0.031 (5)0.016 (4)0.005 (4)0.013 (4)
C110.021 (5)0.027 (4)0.025 (4)0.011 (4)0.006 (3)0.009 (4)
C120.024 (5)0.026 (4)0.032 (5)0.009 (4)0.001 (4)0.015 (4)
C130.039 (6)0.033 (5)0.030 (5)0.011 (4)0.005 (4)0.018 (4)
C140.025 (5)0.022 (4)0.029 (5)0.005 (4)0.002 (4)0.013 (4)
C150.029 (5)0.028 (5)0.022 (4)0.010 (4)0.001 (4)0.010 (4)
C160.027 (5)0.036 (5)0.027 (5)0.016 (4)0.007 (4)0.014 (4)
C170.031 (5)0.033 (5)0.030 (5)0.012 (4)0.001 (4)0.020 (4)
C180.023 (5)0.023 (4)0.030 (5)0.012 (4)0.001 (4)0.007 (4)
C190.024 (5)0.038 (5)0.032 (5)0.014 (4)0.006 (4)0.020 (4)
C200.027 (5)0.033 (5)0.033 (5)0.013 (4)0.002 (4)0.014 (4)
C210.037 (6)0.034 (5)0.021 (4)0.025 (4)0.013 (4)0.009 (4)
C220.063 (8)0.039 (6)0.047 (6)0.021 (5)0.019 (5)0.018 (5)
C230.049 (6)0.029 (5)0.019 (4)0.023 (4)0.005 (4)0.005 (4)
C240.052 (7)0.049 (6)0.038 (6)0.010 (5)0.012 (5)0.012 (5)
C250.060 (7)0.049 (6)0.026 (5)0.025 (5)0.009 (5)0.013 (5)
C260.082 (9)0.059 (7)0.033 (6)0.027 (6)0.018 (6)0.023 (5)
C270.055 (7)0.042 (6)0.035 (5)0.026 (5)0.005 (5)0.019 (5)
C280.077 (9)0.045 (6)0.055 (7)0.013 (6)0.018 (6)0.029 (6)
C290.050 (6)0.026 (5)0.030 (5)0.023 (4)0.001 (4)0.007 (4)
C300.065 (8)0.036 (6)0.043 (6)0.017 (5)0.003 (5)0.017 (5)
C310.046 (6)0.033 (5)0.028 (5)0.022 (4)0.003 (4)0.011 (4)
C320.076 (9)0.034 (5)0.037 (6)0.006 (5)0.025 (5)0.009 (5)
C330.046 (6)0.037 (5)0.030 (5)0.016 (4)0.008 (4)0.014 (4)
C340.049 (7)0.071 (8)0.038 (6)0.017 (6)0.010 (5)0.033 (6)
C350.047 (7)0.054 (6)0.027 (5)0.021 (5)0.007 (4)0.017 (5)
C360.078 (10)0.085 (10)0.100 (11)0.034 (8)0.028 (8)0.049 (9)
Mo10.0234 (4)0.0215 (4)0.0213 (4)0.0085 (3)0.0008 (3)0.0095 (3)
Mo20.0254 (4)0.0217 (4)0.0339 (4)0.0074 (3)0.0006 (3)0.0166 (3)
Mo30.0211 (4)0.0312 (4)0.0414 (5)0.0109 (3)0.0003 (3)0.0214 (4)
Mo40.0346 (5)0.0267 (4)0.0255 (4)0.0102 (3)0.0027 (3)0.0099 (3)
N10.030 (4)0.022 (4)0.026 (4)0.011 (3)0.001 (3)0.009 (3)
N20.026 (4)0.025 (4)0.019 (3)0.014 (3)0.003 (3)0.010 (3)
N30.032 (4)0.020 (4)0.024 (4)0.014 (3)0.001 (3)0.009 (3)
N40.031 (4)0.026 (4)0.014 (3)0.009 (3)0.002 (3)0.010 (3)
O10.047 (4)0.036 (4)0.043 (4)0.007 (3)0.011 (3)0.018 (3)
O20.027 (4)0.026 (3)0.034 (3)0.008 (3)0.003 (3)0.011 (3)
O30.020 (3)0.028 (3)0.051 (4)0.004 (3)0.001 (3)0.025 (3)
O40.043 (4)0.021 (3)0.028 (3)0.009 (3)0.003 (3)0.013 (3)
O50.021 (3)0.025 (3)0.042 (4)0.012 (2)0.002 (3)0.017 (3)
O60.038 (4)0.028 (3)0.021 (3)0.010 (3)0.004 (3)0.010 (3)
O70.036 (4)0.033 (3)0.029 (3)0.010 (3)0.009 (3)0.017 (3)
O80.037 (4)0.036 (4)0.034 (4)0.020 (3)0.008 (3)0.013 (3)
O90.060 (5)0.030 (3)0.031 (4)0.010 (3)0.004 (3)0.006 (3)
O100.028 (4)0.053 (4)0.063 (5)0.013 (3)0.001 (3)0.033 (4)
O110.015 (4)0.023 (4)0.026 (4)0.008 (3)0.006 (3)0.009 (3)
Geometric parameters (Å, º) top
C1—N11.377 (10)C27—H27A0.9800
C1—C201.391 (12)C27—H27B0.9800
C1—C21.431 (12)C28—H28A0.9700
C2—C31.381 (13)C28—H28B0.9700
C2—C211.501 (11)C28—H28C0.9700
C3—C41.442 (11)C29—C301.522 (13)
C3—C231.511 (12)C29—H29A0.9800
C4—N11.384 (11)C29—H29B0.9800
C4—C51.418 (11)C30—H30A0.9700
C5—N21.400 (10)C30—H30B0.9700
C5—C61.423 (12)C30—H30C0.9700
C6—C71.378 (11)C31—C321.533 (14)
C6—C251.503 (12)C31—H31A0.9800
C7—C81.423 (12)C31—H31B0.9800
C7—C271.513 (12)C32—H32A0.9700
C8—N21.367 (10)C32—H32B0.9700
C8—C91.404 (11)C32—H32C0.9700
C9—C101.351 (12)C33—C341.516 (14)
C9—H90.9400C33—H33A0.9800
C10—C111.412 (12)C33—H33B0.9800
C10—H100.9400C34—H34A0.9700
C11—N31.371 (10)C34—H34B0.9700
C11—C121.458 (11)C34—H34C0.9700
C12—C131.377 (12)C35—C361.445 (16)
C12—C291.512 (11)C35—H35A0.9800
C13—C141.451 (11)C35—H35B0.9800
C13—C311.486 (12)C36—H36A0.9700
C14—N31.368 (11)C36—H36B0.9700
C14—C151.415 (11)C36—H36C0.9700
C15—N41.404 (10)Mo1—O11.640 (7)
C15—C161.415 (12)Mo1—N32.052 (6)
C16—C171.414 (11)Mo1—N42.058 (6)
C16—C331.498 (12)Mo1—N12.060 (6)
C17—C181.441 (12)Mo1—N22.065 (7)
C17—C351.502 (12)Mo2—O21.691 (6)
C18—N41.347 (10)Mo2—O31.904 (6)
C18—C191.403 (11)Mo2—O41.912 (6)
C19—C201.391 (12)Mo2—O51.937 (6)
C19—H190.9400Mo2—O61.950 (5)
C20—H200.9400Mo2—O112.3055 (7)
C21—C221.493 (13)Mo3—O101.680 (7)
C21—H21A0.9800Mo3—O81.908 (6)
C21—H21B0.9800Mo3—O51.919 (6)
C22—H22A0.9700Mo3—O3i1.925 (6)
C22—H22B0.9700Mo3—O71.949 (6)
C22—H22C0.9700Mo3—O112.3251 (8)
C23—C241.512 (14)Mo4—O91.683 (6)
C23—H23A0.9800Mo4—O6i1.903 (6)
C23—H23B0.9800Mo4—O7i1.916 (6)
C24—H24A0.9700Mo4—O81.943 (7)
C24—H24B0.9700Mo4—O41.950 (5)
C24—H24C0.9700Mo4—O112.3260 (8)
C25—C261.526 (14)O3—Mo3i1.925 (6)
C25—H25A0.9800O6—Mo4i1.903 (6)
C25—H25B0.9800O7—Mo4i1.916 (6)
C26—H26A0.9700O11—Mo2i2.3056 (7)
C26—H26B0.9700O11—Mo3i2.3251 (8)
C26—H26C0.9700O11—Mo4i2.3260 (8)
C27—C281.502 (14)
N1—C1—C20128.7 (8)C32—C31—H31A109.5
N1—C1—C2107.9 (8)C13—C31—H31B109.5
C20—C1—C2123.4 (7)C32—C31—H31B109.5
C3—C2—C1108.2 (7)H31A—C31—H31B108.0
C3—C2—C21126.4 (8)C31—C32—H32A109.5
C1—C2—C21125.4 (8)C31—C32—H32B109.5
C2—C3—C4106.8 (8)H32A—C32—H32B109.5
C2—C3—C23125.1 (8)C31—C32—H32C109.5
C4—C3—C23127.4 (8)H32A—C32—H32C109.5
N1—C4—C5115.4 (7)H32B—C32—H32C109.5
N1—C4—C3108.0 (7)C16—C33—C34111.2 (8)
C5—C4—C3136.6 (8)C16—C33—H33A109.4
N2—C5—C4114.0 (7)C34—C33—H33A109.4
N2—C5—C6108.9 (7)C16—C33—H33B109.4
C4—C5—C6137.0 (8)C34—C33—H33B109.4
C7—C6—C5106.2 (7)H33A—C33—H33B108.0
C7—C6—C25125.0 (8)C33—C34—H34A109.5
C5—C6—C25128.6 (8)C33—C34—H34B109.5
C6—C7—C8108.9 (7)H34A—C34—H34B109.5
C6—C7—C27126.4 (8)C33—C34—H34C109.5
C8—C7—C27124.7 (7)H34A—C34—H34C109.5
N2—C8—C9126.2 (8)H34B—C34—H34C109.5
N2—C8—C7108.2 (7)C36—C35—C17110.2 (9)
C9—C8—C7125.6 (8)C36—C35—H35A109.6
C10—C9—C8136.5 (9)C17—C35—H35A109.6
C10—C9—H9111.7C36—C35—H35B109.6
C8—C9—H9111.7C17—C35—H35B109.6
C9—C10—C11134.8 (8)H35A—C35—H35B108.1
C9—C10—H10112.6C35—C36—H36A109.5
C11—C10—H10112.6C35—C36—H36B109.5
N3—C11—C10128.5 (7)H36A—C36—H36B109.5
N3—C11—C12107.5 (7)C35—C36—H36C109.5
C10—C11—C12124.0 (7)H36A—C36—H36C109.5
C13—C12—C11108.1 (7)H36B—C36—H36C109.5
C13—C12—C29127.9 (8)O1—Mo1—N3104.2 (3)
C11—C12—C29124.0 (8)O1—Mo1—N4105.3 (3)
C12—C13—C14106.1 (8)N3—Mo1—N477.7 (3)
C12—C13—C31125.9 (8)O1—Mo1—N1105.6 (3)
C14—C13—C31127.6 (8)N3—Mo1—N1150.3 (3)
N3—C14—C15115.5 (7)N4—Mo1—N194.6 (3)
N3—C14—C13109.1 (7)O1—Mo1—N2104.0 (3)
C15—C14—C13135.2 (8)N3—Mo1—N295.0 (3)
N4—C15—C16109.2 (7)N4—Mo1—N2150.7 (3)
N4—C15—C14114.0 (7)N1—Mo1—N277.6 (3)
C16—C15—C14136.7 (8)O2—Mo2—O3103.6 (3)
C17—C16—C15106.5 (7)O2—Mo2—O4103.4 (3)
C17—C16—C33122.1 (8)O3—Mo2—O488.6 (3)
C15—C16—C33130.8 (8)O2—Mo2—O5102.7 (3)
C16—C17—C18106.6 (7)O3—Mo2—O5153.6 (2)
C16—C17—C35127.3 (8)O4—Mo2—O587.2 (3)
C18—C17—C35126.2 (8)O2—Mo2—O6102.4 (3)
N4—C18—C19128.3 (8)O3—Mo2—O686.9 (3)
N4—C18—C17109.6 (7)O4—Mo2—O6154.2 (2)
C19—C18—C17122.0 (8)O5—Mo2—O685.7 (3)
C20—C19—C18133.8 (8)O2—Mo2—O11178.9 (2)
C20—C19—H19113.1O3—Mo2—O1176.95 (16)
C18—C19—H19113.1O4—Mo2—O1177.53 (16)
C19—C20—C1134.4 (8)O5—Mo2—O1176.67 (16)
C19—C20—H20112.8O6—Mo2—O1176.67 (16)
C1—C20—H20112.8O10—Mo3—O8104.4 (3)
C22—C21—C2113.6 (7)O10—Mo3—O5104.1 (3)
C22—C21—H21A108.8O8—Mo3—O587.7 (3)
C2—C21—H21A108.8O10—Mo3—O3i103.3 (3)
C22—C21—H21B108.8O8—Mo3—O3i86.9 (3)
C2—C21—H21B108.8O5—Mo3—O3i152.6 (3)
H21A—C21—H21B107.7O10—Mo3—O7102.5 (3)
C21—C22—H22A109.5O8—Mo3—O7153.1 (3)
C21—C22—H22B109.5O5—Mo3—O786.9 (2)
H22A—C22—H22B109.5O3i—Mo3—O785.8 (2)
C21—C22—H22C109.5O10—Mo3—O11178.9 (3)
H22A—C22—H22C109.5O8—Mo3—O1176.48 (19)
H22B—C22—H22C109.5O5—Mo3—O1176.51 (17)
C3—C23—C24112.4 (7)O3i—Mo3—O1176.08 (18)
C3—C23—H23A109.1O7—Mo3—O1176.59 (18)
C24—C23—H23A109.1O9—Mo4—O6i103.6 (3)
C3—C23—H23B109.1O9—Mo4—O7i103.0 (3)
C24—C23—H23B109.1O6i—Mo4—O7i88.7 (3)
H23A—C23—H23B107.9O9—Mo4—O8104.0 (3)
C23—C24—H24A109.5O6i—Mo4—O887.0 (3)
C23—C24—H24B109.5O7i—Mo4—O8152.9 (2)
H24A—C24—H24B109.5O9—Mo4—O4103.0 (3)
C23—C24—H24C109.5O6i—Mo4—O4153.3 (2)
H24A—C24—H24C109.5O7i—Mo4—O486.8 (3)
H24B—C24—H24C109.5O8—Mo4—O485.2 (3)
C6—C25—C26110.7 (9)O9—Mo4—O11179.3 (2)
C6—C25—H25A109.5O6i—Mo4—O1177.03 (16)
C26—C25—H25A109.5O7i—Mo4—O1177.15 (17)
C6—C25—H25B109.5O8—Mo4—O1175.82 (17)
C26—C25—H25B109.5O4—Mo4—O1176.31 (16)
H25A—C25—H25B108.1C1—N1—C4109.0 (7)
C25—C26—H26A109.5C1—N1—Mo1134.6 (6)
C25—C26—H26B109.5C4—N1—Mo1116.0 (5)
H26A—C26—H26B109.5C8—N2—C5107.8 (6)
C25—C26—H26C109.5C8—N2—Mo1134.2 (6)
H26A—C26—H26C109.5C5—N2—Mo1115.5 (5)
H26B—C26—H26C109.5C14—N3—C11109.2 (7)
C28—C27—C7112.9 (9)C14—N3—Mo1115.7 (5)
C28—C27—H27A109.0C11—N3—Mo1132.4 (5)
C7—C27—H27A109.0C18—N4—C15108.0 (7)
C28—C27—H27B109.0C18—N4—Mo1135.8 (5)
C7—C27—H27B109.0C15—N4—Mo1115.4 (5)
H27A—C27—H27B107.8Mo2—O3—Mo3i117.2 (3)
C27—C28—H28A109.5Mo2—O4—Mo4116.1 (3)
C27—C28—H28B109.5Mo3—O5—Mo2116.6 (3)
H28A—C28—H28B109.5Mo4i—O6—Mo2116.3 (3)
C27—C28—H28C109.5Mo4i—O7—Mo3116.4 (3)
H28A—C28—H28C109.5Mo3—O8—Mo4117.5 (3)
H28B—C28—H28C109.5Mo2—O11—Mo2i180.000 (1)
C12—C29—C30112.2 (8)Mo2—O11—Mo390.21 (3)
C12—C29—H29A109.2Mo2i—O11—Mo389.79 (3)
C30—C29—H29A109.2Mo2—O11—Mo3i89.79 (3)
C12—C29—H29B109.2Mo2i—O11—Mo3i90.21 (3)
C30—C29—H29B109.2Mo3—O11—Mo3i180.0
H29A—C29—H29B107.9Mo2—O11—Mo490.05 (3)
C29—C30—H30A109.5Mo2i—O11—Mo489.95 (3)
C29—C30—H30B109.5Mo3—O11—Mo490.15 (3)
H30A—C30—H30B109.5Mo3i—O11—Mo489.85 (3)
C29—C30—H30C109.5Mo2—O11—Mo4i89.95 (3)
H30A—C30—H30C109.5Mo2i—O11—Mo4i90.05 (3)
H30B—C30—H30C109.5Mo3—O11—Mo4i89.85 (3)
C13—C31—C32110.9 (7)Mo3i—O11—Mo4i90.16 (3)
C13—C31—H31A109.5Mo4—O11—Mo4i180.00 (4)
Symmetry code: (i) x, y+1, z+1.
 

Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds