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Information card for entry 4313029
Preview
Coordinates | 4313029.cif |
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Original paper (by DOI) | HTML |
Formula | C58.75 H52 B2 Co N12 |
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Calculated formula | C57 H50 B2 Co N12 |
SMILES | [Co]1234([n]5n([BH](n6[n]1ccc6)n1[n]2ccc1)ccc5)[n]1n([BH](n2[n]3c(c(c2)c2ccccc2)Cc2ccccc2)n2[n]4c(c(c2)c2ccccc2)Cc2ccccc2)cc(c1Cc1ccccc1)c1ccccc1 |
Title of publication | The Effect of a 3-Benzyl Group on the Coordination Chemistry of Homoscorpionate Ligands |
Authors of publication | Arnold L. Rheingold; Lev. N. Zakharov; Swiatoslaw Trofimenko |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 827 - 833 |
a | 10.4113 ± 0.0008 Å |
b | 11.7946 ± 0.0009 Å |
c | 45.028 ± 0.003 Å |
α | 97.254 ± 0.001° |
β | 92.009 ± 0.002° |
γ | 105.46 ± 0.001° |
Cell volume | 5272.9 ± 0.7 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.094 |
Residual factor for significantly intense reflections | 0.0663 |
Weighted residual factors for significantly intense reflections | 0.1461 |
Weighted residual factors for all reflections included in the refinement | 0.1582 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4313029.html
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Users of the data should acknowledge the original authors of the
structural data.