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Information card for entry 7027537
Preview
Coordinates | 7027537.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H49 F5 Mo N2 O |
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Calculated formula | C48 H49 F5 Mo N2 O |
SMILES | [Mo](Oc1c(F)c(F)c(F)c(F)c1F)(=NN(c1ccccc1)c1ccccc1)(CC(C)(C)c1ccccc1)(CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1 |
Title of publication | Molybdenum and tungsten mono-isodiazene complexes with alkyl ligands as ring-opening metathesis polymerisation procatalysts. Crystal and molecular structures of [Mo(CH2CMe2Ph)3(NNPh2)(OC6F5)], [W(CH2SiMe3)3(NNPh2)(OC6F5)] and [WCl2(NNPh2)(OC6F5)2(thf )] |
Authors of publication | Dilworth, Jonathan R.; Gibson, Vernon C.; Redshaw, Carl; White, Andrew J. P.; Williams, David J. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 16 |
Pages of publication | 2701 |
a | 11.809 ± 0.003 Å |
b | 11.9047 ± 0.0014 Å |
c | 16.348 ± 0.003 Å |
α | 87.302 ± 0.012° |
β | 81.012 ± 0.015° |
γ | 66.879 ± 0.011° |
Cell volume | 2087.4 ± 0.7 Å3 |
Cell temperature | 203 ± 2 K |
Ambient diffraction temperature | 203 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0428 |
Residual factor for significantly intense reflections | 0.0408 |
Weighted residual factors for all reflections | 0.2221 |
Weighted residual factors for significantly intense reflections | 0.11 |
Goodness-of-fit parameter for all reflections | 1.022 |
Goodness-of-fit parameter for significantly intense reflections | 1.028 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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