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Information card for entry 7010467
Preview
Coordinates | 7010467.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H32 Cl2 Co O4 P W |
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Calculated formula | C36 H32 Cl2 Co O4 P W |
SMILES | [W]123456([Co]789(C#[O])(C#[O])[C]1(=[CH]7[C]8(P(c1ccccc1)c1ccccc1)=[C]29c1ccccc1)C(C)(C)C)(C#[O])(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61.ClCCl |
Title of publication | Alkyne‒phosphinoalkyne coupling reactions on mixed-metal tungsten‒cobalt centres; P‒C(alkyne) bond cleavage versus P‒C(alkyne) bond preservation |
Authors of publication | Davies, John E.; Mays, Martin J.; Raithby, Paul R.; Sarveswaran, Koshala; Solan, Gregory A. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2001 |
Journal issue | 8 |
Pages of publication | 1269 |
a | 9.451 ± 0.005 Å |
b | 9.87 ± 0.005 Å |
c | 35.906 ± 0.018 Å |
α | 90° |
β | 91.59 ± 0.03° |
γ | 90° |
Cell volume | 3348 ± 3 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0656 |
Residual factor for significantly intense reflections | 0.0462 |
Weighted residual factors for all reflections | 0.1178 |
Weighted residual factors for significantly intense reflections | 0.0974 |
Goodness-of-fit parameter for all reflections | 1.167 |
Goodness-of-fit parameter for significantly intense reflections | 1.155 |
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/7010467.html
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