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Information card for entry 4071008
Preview
Coordinates | 4071008.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H49 Mo2 O2 P Si |
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Calculated formula | C43 H49 Mo2 O2 P Si |
SMILES | [Mo]1234567([Mo]89%10%11([P]1(C1CCCCC1)C1CCCCC1)(=[C]=2c1c([Si](OC)(c2ccccc2)c2ccccc2)cccc1)([cH]1[cH]8[cH]9[cH]%11[cH]%101)C6=O)[cH]1[cH]3[cH]7[cH]5[cH]41 |
Title of publication | Multisite Reactivity of the Unsaturated Methoxycarbyne Complex [Mo2(η5-C5H5)2(µ-COMe)(µ-PCy2)(µ-CO)] |
Authors of publication | García-Vivó, Daniel; García, M. Esther; Ruiz, Miguel A. |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 2 |
Pages of publication | 169 |
a | 11.313 ± 0.003 Å |
b | 12.471 ± 0.003 Å |
c | 17.09 ± 0.004 Å |
α | 68.836 ± 0.004° |
β | 84.285 ± 0.004° |
γ | 81.815 ± 0.004° |
Cell volume | 2222.6 ± 1 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 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 | 0.0329 |
Residual factor for significantly intense reflections | 0.026 |
Weighted residual factors for significantly intense reflections | 0.0637 |
Weighted residual factors for all reflections included in the refinement | 0.0662 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4071008.html
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