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Crystals of [(C2H5)4N][(TpMe2)(CO)2Mo=C(CN)2] [TpMe2 is (3,5-di­methyl-1-pyrazolyl)­hydro­borato], (1), the first example of an air-stable carbene complex bearing a metal-centred negative charge, contain discrete anions and cations separated by typical van der Waals distances. The coordination of the anion in (1) is octahedral about Mo, with the TpMe2 ligand occupying three adjacent coordination sites and the two carbonyl ligands and the di­cyano­carbene ligand occupying the remaining three sites. The anion contains an approximate mirror plane, which passes through the plane of the di­cyano­carbene ligand, the Mo atom and one of the TpMe2 rings.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803015794/bt6306sup1.cif
Contains datablocks global, 1

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803015794/bt63061sup2.hkl
Contains datablock 1

CCDC reference: 221648

Key indicators

  • Single-crystal X-ray study
  • T = 294 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.038
  • wR factor = 0.091
  • Data-to-parameter ratio = 17.8

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


Yellow Alert Alert Level C:
PLAT_362 Alert C Short C(sp3)-C(sp2) Bond C35 - C37 = 1.41 Ang.
0 Alert Level A = Potentially serious problem
0 Alert Level B = Potential problem
1 Alert Level C = Please check

Computing details top

Data collection: CAD-4-PC Software (Enraf-Nonius, 1992); cell refinement: SET4 and CELDIM in CAD-4-PC Software; data reduction: DATRD2 in NRCVAX96 (Gabe et al., 1989); program(s) used to solve structure: NRCVAX96 via Patterson heavy-atom method; program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976) and PLATON (Spek, 2003); software used to prepare material for publication: SHELXL97.

Tetraethylammonium dicarbonyl(dicyanomethylene)[tris(3,5-dimethyl-1- pyrazolyl)hydroborato]molybdenum(0) top
Crystal data top
(C8H20N)[Mo(C15H22BN6)(C3N2)(CO)2]F(000) = 2688
Mr = 643.46? #Insert any comments here.
Monoclinic, C2/cDx = 1.385 Mg m3
Hall symbol: -C 2ycMo Kα radiation, λ = 0.7107 Å
a = 40.153 (3) ÅCell parameters from 25 reflections
b = 8.113 (2) Åθ = 9.6–15.2°
c = 20.161 (3) ŵ = 0.47 mm1
β = 109.989 (8)°T = 294 K
V = 6172.0 (18) Å3Plate, green
Z = 80.40 × 0.28 × 0.08 mm
Data collection top
Enraf-Nonius CAD-4
diffractometer
4379 reflections with I > 2σ(I)
Radiation source: X-ray tubeRint = 0.013
Graphite monochromatorθmax = 27.0°, θmin = 2.2°
θ/2θ scansh = 5048
Absorption correction: ψ scan
(North et al., 1968)
k = 010
Tmin = 0.891, Tmax = 0.963l = 025
6846 measured reflections3 standard reflections every 120 min
6761 independent reflections intensity decay: none
Refinement top
Refinement on F2Primary atom site location: heavy-atom method
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.039Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.091H-atom parameters constrained
S = 0.96 w = 1/[σ2(Fo2) + (0.0458P)2]
where P = (Fo2 + 2Fc2)/3
6761 reflections(Δ/σ)max = 0.001
380 parametersΔρmax = 0.39 e Å3
0 restraintsΔρmin = 0.42 e Å3
Special details top

Experimental. ? #Insert any special details here.

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Mo10.358557 (6)0.17635 (3)0.320422 (12)0.02968 (8)
O10.34972 (7)0.3246 (4)0.44869 (11)0.0602 (7)
O20.37920 (7)0.0763 (3)0.43723 (12)0.0574 (7)
N110.33736 (7)0.3799 (3)0.24569 (12)0.0356 (6)
N120.31938 (6)0.3427 (4)0.17908 (12)0.0377 (6)
N210.36922 (7)0.0483 (3)0.23396 (13)0.0382 (6)
N220.34514 (7)0.0655 (3)0.16950 (12)0.0391 (6)
N310.30455 (6)0.0766 (3)0.26795 (12)0.0346 (6)
N320.29019 (6)0.0831 (3)0.19871 (12)0.0374 (6)
N40.43847 (10)0.3891 (7)0.27592 (19)0.1009 (16)
N50.44759 (9)0.2422 (5)0.47857 (16)0.0668 (10)
N60.44955 (6)0.3337 (4)0.08250 (13)0.0433 (6)
B10.31107 (10)0.1629 (5)0.15768 (16)0.0405 (9)
H10.29690.15890.10730.049*
C10.35118 (8)0.2752 (4)0.39828 (16)0.0368 (7)
C20.37173 (8)0.0091 (4)0.39057 (15)0.0383 (7)
C30.40858 (8)0.2643 (4)0.35400 (15)0.0386 (7)
C40.42592 (9)0.3344 (6)0.31163 (18)0.0591 (10)
C50.43110 (8)0.2555 (5)0.42307 (18)0.0442 (8)
C130.30931 (9)0.4846 (5)0.14415 (17)0.0452 (8)
C140.32054 (10)0.6120 (5)0.18795 (19)0.0531 (9)
H140.31720.72370.17730.064*
C150.33767 (9)0.5432 (4)0.25062 (17)0.0427 (8)
C160.29008 (10)0.4878 (6)0.06957 (17)0.0666 (12)
H16A0.28520.60000.05420.100*
H16B0.26820.42900.05980.100*
H16C0.30400.43660.04500.100*
C170.35373 (11)0.6300 (5)0.31612 (19)0.0643 (11)
H17A0.35210.74660.30750.096*
H17B0.37820.59880.33630.096*
H17C0.34160.60230.34820.096*
C230.35653 (11)0.0209 (5)0.12611 (18)0.0517 (9)
C240.38756 (11)0.0941 (5)0.1621 (2)0.0567 (10)
H240.40110.16120.14380.068*
C250.39486 (9)0.0505 (4)0.22925 (19)0.0467 (8)
C260.33562 (13)0.0286 (6)0.05210 (18)0.0821 (15)
H26A0.34750.09620.02810.123*
H26B0.33260.08050.03250.123*
H26C0.31280.07520.04650.123*
C270.42546 (10)0.1034 (6)0.2889 (2)0.0679 (12)
H27A0.42110.08270.33210.102*
H27B0.44610.04320.28890.102*
H27C0.42930.21920.28490.102*
C330.25857 (9)0.0080 (5)0.17815 (17)0.0481 (9)
C340.25159 (9)0.0468 (5)0.23328 (18)0.0545 (10)
H340.23160.10320.23430.065*
C350.28068 (8)0.0013 (4)0.28848 (17)0.0418 (8)
C360.23614 (11)0.0101 (7)0.10529 (19)0.0790 (14)
H36A0.24920.06330.07930.118*
H36B0.22850.09660.08530.118*
H36C0.21590.07580.10280.118*
C370.28574 (10)0.0313 (6)0.36034 (18)0.0620 (11)
H37A0.26410.07210.36460.093*
H37B0.29240.06950.38650.093*
H37C0.30420.11150.37870.093*
C610.41331 (9)0.4083 (5)0.04920 (19)0.0562 (10)
H61A0.41630.52070.03590.067*
H61B0.40130.34830.00600.067*
C620.38977 (11)0.4118 (7)0.0917 (2)0.0791 (14)
H62A0.36790.46470.06530.119*
H62B0.40110.47180.13460.119*
H62C0.38510.30110.10290.119*
C630.44504 (11)0.1541 (5)0.0947 (2)0.0715 (12)
H63A0.43060.10470.05030.086*
H63B0.43220.14360.12740.086*
C640.47940 (14)0.0577 (6)0.1235 (3)0.114 (2)
H64A0.47430.05380.13270.171*
H64B0.49430.10780.16650.171*
H64C0.49130.05810.08950.171*
C650.46916 (10)0.4157 (5)0.14930 (18)0.0576 (10)
H65A0.49280.36880.16690.069*
H65B0.45770.38900.18310.069*
C660.47276 (13)0.5990 (6)0.1478 (2)0.0785 (14)
H66A0.48420.63900.19490.118*
H66B0.44970.64790.12840.118*
H66C0.48670.62770.11910.118*
C670.47131 (9)0.3605 (5)0.03700 (19)0.0576 (11)
H67A0.47240.47760.02840.069*
H67B0.49530.32250.06170.069*
C680.45733 (12)0.2749 (7)0.0304 (2)0.0906 (17)
H68A0.47270.29350.05710.136*
H68B0.43410.31600.05620.136*
H68C0.45600.15890.02220.136*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Mo10.03031 (12)0.03440 (14)0.02363 (11)0.00140 (14)0.00831 (8)0.00083 (14)
O10.0826 (18)0.0687 (18)0.0358 (12)0.0135 (16)0.0287 (12)0.0046 (14)
O20.0735 (17)0.0539 (17)0.0407 (13)0.0115 (14)0.0143 (12)0.0144 (13)
N110.0405 (14)0.0369 (16)0.0271 (12)0.0026 (12)0.0086 (11)0.0009 (11)
N120.0415 (14)0.0431 (17)0.0253 (11)0.0019 (13)0.0073 (10)0.0042 (12)
N210.0397 (14)0.0441 (17)0.0337 (13)0.0008 (13)0.0163 (11)0.0054 (12)
N220.0504 (16)0.0420 (17)0.0289 (13)0.0075 (13)0.0190 (12)0.0083 (12)
N310.0342 (13)0.0413 (16)0.0287 (12)0.0042 (12)0.0112 (10)0.0002 (11)
N320.0350 (14)0.0473 (17)0.0278 (12)0.0068 (13)0.0081 (10)0.0034 (12)
N40.071 (2)0.185 (5)0.055 (2)0.035 (3)0.0309 (19)0.010 (3)
N50.0552 (19)0.095 (3)0.0391 (17)0.0068 (19)0.0016 (15)0.0095 (17)
N60.0355 (13)0.0501 (18)0.0433 (14)0.0016 (14)0.0121 (11)0.0040 (15)
B10.0454 (19)0.053 (2)0.0206 (14)0.009 (2)0.0074 (13)0.0031 (18)
C10.0365 (16)0.040 (2)0.0327 (16)0.0016 (14)0.0099 (13)0.0032 (14)
C20.0432 (17)0.0396 (19)0.0294 (15)0.0001 (16)0.0092 (13)0.0021 (15)
C30.0350 (16)0.051 (2)0.0302 (15)0.0059 (15)0.0114 (13)0.0062 (14)
C40.0402 (18)0.096 (3)0.0406 (18)0.012 (2)0.0129 (15)0.007 (2)
C50.0373 (17)0.053 (2)0.0415 (19)0.0044 (16)0.0122 (15)0.0095 (16)
C130.0447 (19)0.054 (2)0.0363 (17)0.0016 (18)0.0134 (14)0.0143 (17)
C140.063 (2)0.042 (2)0.053 (2)0.0040 (19)0.0175 (18)0.0164 (18)
C150.052 (2)0.035 (2)0.0423 (18)0.0017 (16)0.0172 (15)0.0032 (15)
C160.067 (2)0.087 (3)0.0397 (19)0.009 (2)0.0106 (18)0.025 (2)
C170.093 (3)0.039 (2)0.055 (2)0.013 (2)0.017 (2)0.0105 (19)
C230.074 (3)0.049 (2)0.0436 (19)0.013 (2)0.0360 (19)0.0097 (17)
C240.070 (3)0.052 (2)0.066 (2)0.004 (2)0.046 (2)0.019 (2)
C250.047 (2)0.044 (2)0.057 (2)0.0051 (17)0.0288 (17)0.0077 (17)
C260.120 (4)0.098 (4)0.038 (2)0.013 (3)0.039 (2)0.026 (2)
C270.053 (2)0.074 (3)0.078 (3)0.018 (2)0.023 (2)0.004 (2)
C330.0425 (19)0.055 (2)0.0411 (18)0.0170 (18)0.0066 (15)0.0077 (17)
C340.0416 (19)0.064 (3)0.056 (2)0.0181 (19)0.0144 (17)0.0032 (19)
C350.0405 (17)0.047 (2)0.0426 (17)0.0049 (16)0.0202 (14)0.0012 (16)
C360.064 (3)0.110 (4)0.050 (2)0.034 (3)0.003 (2)0.016 (3)
C370.059 (2)0.087 (3)0.048 (2)0.018 (2)0.0273 (18)0.010 (2)
C610.0376 (18)0.070 (3)0.057 (2)0.0035 (19)0.0109 (16)0.012 (2)
C620.051 (2)0.103 (4)0.093 (3)0.011 (3)0.038 (2)0.017 (3)
C630.063 (3)0.055 (3)0.093 (3)0.003 (2)0.023 (2)0.014 (2)
C640.100 (4)0.061 (3)0.154 (6)0.016 (3)0.009 (4)0.018 (4)
C650.060 (2)0.071 (3)0.0375 (18)0.003 (2)0.0116 (17)0.0023 (19)
C660.099 (4)0.074 (3)0.060 (3)0.013 (3)0.025 (2)0.022 (2)
C670.050 (2)0.075 (3)0.055 (2)0.010 (2)0.0268 (17)0.012 (2)
C680.083 (3)0.136 (5)0.066 (3)0.034 (3)0.043 (2)0.039 (3)
Geometric parameters (Å, º) top
Mo1—C11.874 (3)C24—H240.93
Mo1—C21.900 (3)C25—C271.459 (5)
Mo1—C32.018 (3)C26—H26A0.96
Mo1—N112.201 (3)C26—H26B0.96
Mo1—N212.193 (2)C26—H26C0.96
Mo1—N312.215 (2)C27—H27A0.96
O1—C11.113 (3)C27—H27B0.96
O2—C21.124 (4)C27—H27C0.96
N11—N121.324 (3)C33—C341.313 (5)
N11—C151.328 (4)C33—C361.444 (4)
N12—C131.337 (4)C34—C351.360 (4)
N12—B11.526 (5)C34—H340.93
N21—C251.334 (4)C35—C371.413 (4)
N21—N221.336 (3)C36—H36A0.96
N22—C231.319 (4)C36—H36B0.96
N22—B11.526 (5)C36—H36C0.96
N31—N321.317 (3)C37—H37A0.96
N31—C351.327 (4)C37—H37B0.96
N32—C331.340 (4)C37—H37C0.96
N32—B11.510 (4)C61—C621.477 (5)
N4—C41.104 (5)C61—H61A0.97
N5—C51.093 (4)C61—H61B0.97
N6—C651.467 (4)C62—H62A0.96
N6—C671.483 (4)C62—H62B0.96
N6—C631.499 (5)C62—H62C0.96
N6—C611.506 (4)C63—C641.518 (6)
B1—H10.98C63—H63A0.97
C3—C51.379 (4)C63—H63B0.97
C3—C41.394 (5)C64—H64A0.96
C13—C141.334 (5)C64—H64B0.96
C13—C161.437 (4)C64—H64C0.96
C14—C151.337 (4)C65—C661.495 (6)
C14—H140.93C65—H65A0.97
C15—C171.440 (5)C65—H65B0.97
C16—H16A0.96C66—H66A0.96
C16—H16B0.96C66—H66B0.96
C16—H16C0.96C66—H66C0.96
C17—H17A0.96C67—C681.456 (5)
C17—H17B0.96C67—H67A0.97
C17—H17C0.96C67—H67B0.97
C23—C241.347 (5)C68—H68A0.96
C23—C261.442 (5)C68—H68B0.96
C24—C251.331 (5)C68—H68C0.96
C1—Mo1—C276.44 (13)C23—C26—H26A109.5
C1—Mo1—C389.53 (13)C23—C26—H26B109.5
C2—Mo1—C390.62 (14)H26A—C26—H26B109.5
C1—Mo1—N21176.27 (12)C23—C26—H26C109.5
C2—Mo1—N2199.97 (12)H26A—C26—H26C109.5
C3—Mo1—N2189.54 (11)H26B—C26—H26C109.5
C1—Mo1—N1196.74 (12)C25—C27—H27A109.5
C2—Mo1—N11171.68 (11)C25—C27—H27B109.5
C3—Mo1—N1194.12 (12)H27A—C27—H27B109.5
N21—Mo1—N1186.92 (10)C25—C27—H27C109.5
C1—Mo1—N3198.46 (11)H27A—C27—H27C109.5
C2—Mo1—N3194.17 (11)H27B—C27—H27C109.5
C3—Mo1—N31171.46 (10)C34—C33—N32110.2 (3)
N21—Mo1—N3182.69 (9)C34—C33—C36125.9 (3)
N11—Mo1—N3182.00 (9)N32—C33—C36123.8 (3)
N12—N11—C15106.9 (3)C33—C34—C35103.2 (3)
N12—N11—Mo1118.2 (2)C33—C34—H34128.4
C15—N11—Mo1134.9 (2)C35—C34—H34128.4
N11—N12—C13107.4 (3)N31—C35—C34112.6 (3)
N11—N12—B1119.7 (2)N31—C35—C37122.4 (3)
C13—N12—B1132.6 (3)C34—C35—C37125.0 (3)
C25—N21—N22108.3 (3)C33—C36—H36A109.5
C25—N21—Mo1134.9 (2)C33—C36—H36B109.5
N22—N21—Mo1116.79 (19)H36A—C36—H36B109.5
C23—N22—N21106.9 (3)C33—C36—H36C109.5
C23—N22—B1131.8 (3)H36A—C36—H36C109.5
N21—N22—B1121.2 (2)H36B—C36—H36C109.5
N32—N31—C35104.4 (2)C35—C37—H37A109.5
N32—N31—Mo1119.60 (18)C35—C37—H37B109.5
C35—N31—Mo1135.9 (2)H37A—C37—H37B109.5
N31—N32—C33109.6 (3)C35—C37—H37C109.5
N31—N32—B1118.3 (2)H37A—C37—H37C109.5
C33—N32—B1132.1 (3)H37B—C37—H37C109.5
C65—N6—C67104.9 (3)C62—C61—N6117.5 (3)
C65—N6—C63110.4 (3)C62—C61—H61A107.9
C67—N6—C63111.9 (3)N6—C61—H61A107.9
C65—N6—C61111.1 (3)C62—C61—H61B107.9
C67—N6—C61110.4 (3)N6—C61—H61B107.9
C63—N6—C61108.2 (3)H61A—C61—H61B107.2
N32—B1—N12111.3 (3)C61—C62—H62A109.5
N32—B1—N22109.2 (3)C61—C62—H62B109.5
N12—B1—N22110.7 (3)H62A—C62—H62B109.5
N32—B1—H1108.5C61—C62—H62C109.5
N12—B1—H1108.5H62A—C62—H62C109.5
N22—B1—H1108.5H62B—C62—H62C109.5
O1—C1—Mo1172.8 (3)N6—C63—C64114.8 (4)
O2—C2—Mo1172.1 (3)N6—C63—H63A108.6
C5—C3—C4110.3 (3)C64—C63—H63A108.6
C5—C3—Mo1123.7 (2)N6—C63—H63B108.6
C4—C3—Mo1125.9 (2)C64—C63—H63B108.6
N4—C4—C3177.3 (4)H63A—C63—H63B107.6
N5—C5—C3175.8 (4)C63—C64—H64A109.5
C14—C13—N12110.2 (3)C63—C64—H64B109.5
C14—C13—C16128.1 (4)H64A—C64—H64B109.5
N12—C13—C16121.6 (4)C63—C64—H64C109.5
C13—C14—C15104.5 (3)H64A—C64—H64C109.5
C13—C14—H14127.8H64B—C64—H64C109.5
C15—C14—H14127.8N6—C65—C66117.2 (3)
N11—C15—C14110.9 (3)N6—C65—H65A108.0
N11—C15—C17123.1 (3)C66—C65—H65A108.0
C14—C15—C17126.0 (3)N6—C65—H65B108.0
C13—C16—H16A109.5C66—C65—H65B108.0
C13—C16—H16B109.5H65A—C65—H65B107.2
H16A—C16—H16B109.5C65—C66—H66A109.5
C13—C16—H16C109.5C65—C66—H66B109.5
H16A—C16—H16C109.5H66A—C66—H66B109.5
H16B—C16—H16C109.5C65—C66—H66C109.5
C15—C17—H17A109.5H66A—C66—H66C109.5
C15—C17—H17B109.5H66B—C66—H66C109.5
H17A—C17—H17B109.5C68—C67—N6112.7 (3)
C15—C17—H17C109.5C68—C67—H67A109.0
H17A—C17—H17C109.5N6—C67—H67A109.0
H17B—C17—H17C109.5C68—C67—H67B109.0
N22—C23—C24110.1 (3)N6—C67—H67B109.0
N22—C23—C26119.9 (4)H67A—C67—H67B107.8
C24—C23—C26130.0 (4)C67—C68—H68A109.5
C25—C24—C23105.8 (3)C67—C68—H68B109.5
C25—C24—H24127.1H68A—C68—H68B109.5
C23—C24—H24127.1C67—C68—H68C109.5
C24—C25—N21109.0 (3)H68A—C68—H68C109.5
C24—C25—C27126.2 (4)H68B—C68—H68C109.5
N21—C25—C27124.8 (3)
C1—Mo1—N11—N12143.6 (2)C1—Mo1—C3—C4137.7 (4)
C3—Mo1—N11—N12126.4 (2)C2—Mo1—C3—C4145.9 (4)
N21—Mo1—N11—N1237.1 (2)N21—Mo1—C3—C445.9 (4)
N31—Mo1—N11—N1245.9 (2)N11—Mo1—C3—C440.9 (4)
C1—Mo1—N11—C1535.6 (3)N11—N12—C13—C140.3 (4)
C3—Mo1—N11—C1554.4 (3)B1—N12—C13—C14173.2 (3)
N21—Mo1—N11—C15143.7 (3)N11—N12—C13—C16178.0 (3)
N31—Mo1—N11—C15133.3 (3)B1—N12—C13—C168.4 (5)
C15—N11—N12—C130.7 (4)N12—C13—C14—C150.1 (4)
Mo1—N11—N12—C13179.9 (2)C16—C13—C14—C15178.4 (4)
C15—N11—N12—B1173.9 (3)N12—N11—C15—C140.8 (4)
Mo1—N11—N12—B15.5 (4)Mo1—N11—C15—C14180.0 (2)
C2—Mo1—N21—C2541.3 (3)N12—N11—C15—C17177.6 (3)
C3—Mo1—N21—C2549.3 (3)Mo1—N11—C15—C171.7 (6)
N11—Mo1—N21—C25143.4 (3)C13—C14—C15—N110.6 (4)
N31—Mo1—N21—C25134.3 (3)C13—C14—C15—C17177.7 (4)
C2—Mo1—N21—N22137.3 (2)N21—N22—C23—C240.3 (4)
C3—Mo1—N21—N22132.2 (2)B1—N22—C23—C24176.0 (3)
N11—Mo1—N21—N2238.0 (2)N21—N22—C23—C26178.9 (3)
N31—Mo1—N21—N2244.3 (2)B1—N22—C23—C262.6 (6)
C25—N21—N22—C230.8 (4)N22—C23—C24—C250.3 (4)
Mo1—N21—N22—C23179.7 (2)C26—C23—C24—C25178.1 (4)
C25—N21—N22—B1176.0 (3)C23—C24—C25—N210.8 (4)
Mo1—N21—N22—B12.9 (4)C23—C24—C25—C27178.2 (4)
C1—Mo1—N31—N32140.2 (2)N22—N21—C25—C241.0 (4)
C2—Mo1—N31—N32142.9 (2)Mo1—N21—C25—C24179.6 (3)
N21—Mo1—N31—N3243.4 (2)N22—N21—C25—C27178.0 (4)
N11—Mo1—N31—N3244.5 (2)Mo1—N21—C25—C270.7 (6)
C1—Mo1—N31—C3543.3 (3)N31—N32—C33—C340.7 (4)
C2—Mo1—N31—C3533.6 (3)B1—N32—C33—C34178.2 (4)
N21—Mo1—N31—C35133.1 (3)N31—N32—C33—C36178.5 (4)
N11—Mo1—N31—C35139.0 (3)B1—N32—C33—C361.0 (7)
C35—N31—N32—C331.0 (4)N32—C33—C34—C350.1 (5)
Mo1—N31—N32—C33176.5 (2)C36—C33—C34—C35179.1 (4)
C35—N31—N32—B1178.9 (3)N32—N31—C35—C341.0 (4)
Mo1—N31—N32—B11.4 (4)Mo1—N31—C35—C34175.9 (3)
N31—N32—B1—N1260.2 (4)N32—N31—C35—C37178.8 (4)
C33—N32—B1—N12122.5 (4)Mo1—N31—C35—C374.3 (6)
N31—N32—B1—N2262.3 (4)C33—C34—C35—N310.6 (5)
C33—N32—B1—N22115.1 (4)C33—C34—C35—C37179.2 (4)
N11—N12—B1—N3258.2 (4)C65—N6—C61—C6256.4 (5)
C13—N12—B1—N32114.7 (4)C67—N6—C61—C62172.3 (4)
N11—N12—B1—N2263.4 (3)C63—N6—C61—C6264.9 (5)
C13—N12—B1—N22123.7 (3)C65—N6—C63—C6462.3 (5)
C23—N22—B1—N32115.2 (4)C67—N6—C63—C6454.1 (5)
N21—N22—B1—N3260.7 (4)C61—N6—C63—C64176.0 (4)
C23—N22—B1—N12121.9 (4)C67—N6—C65—C6665.4 (4)
N21—N22—B1—N1262.2 (4)C63—N6—C65—C66173.9 (4)
C1—Mo1—C3—C545.6 (3)C61—N6—C65—C6653.9 (5)
C2—Mo1—C3—C530.8 (3)C65—N6—C67—C68175.2 (4)
N21—Mo1—C3—C5130.8 (3)C63—N6—C67—C6855.5 (5)
N11—Mo1—C3—C5142.3 (3)C61—N6—C67—C6865.0 (5)
 

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