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Information card for entry 7010388
Preview
Coordinates | 7010388.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H27 Co2 N O6 P2 |
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Calculated formula | C37 H27 Co2 N O6 P2 |
SMILES | [C]12(=[CH]3[Co]41([P](C[P]([Co]234(C#[O])C#[O])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O])c1ccc(N(=O)=O)cc1 |
Title of publication | Structural and electronic variations in cobalt‒alkyne clusters † |
Authors of publication | Snaith, Tom J.; Low, Paul J.; Rousseau, Roger; Puschmann, Horst; Howard, Judith A. K. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2001 |
Journal issue | 3 |
Pages of publication | 292 |
a | 14.4825 ± 0.0011 Å |
b | 13.6742 ± 0.001 Å |
c | 16.886 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3344 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 57 |
Hermann-Mauguin space group symbol | P b c m |
Hall space group symbol | -P 2c 2b |
Residual factor for all reflections | 0.0353 |
Residual factor for significantly intense reflections | 0.0322 |
Weighted residual factors for significantly intense reflections | 0.0765 |
Weighted residual factors for all reflections included in the refinement | 0.0794 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
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/7010388.html
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