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Information card for entry 4320380
Preview
Coordinates | 4320380.cif |
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Original paper (by DOI) | HTML |
Common name | [CoOEB-15,19-(CN)2].acetone |
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Formula | C40 H48 Co N6 O2 |
Calculated formula | C40 H48 Co N6 O2 |
SMILES | [Co]123N4C(=O)C(=C(C4=Cc4[n]1c(c(c4CC)CC)=Cc1n2c(c(c1CC)CC)C(=c1[n]3c(c(c1CC)CC)C#N)C#N)CC)CC.O=C(C)C |
Title of publication | Ring-Opening and Meso Substitution from the Reaction of Cyanide Ion with Zinc Verdohemes |
Authors of publication | James A. Johnson; Marilyn M. Olmstead; Alan M. Stolzenberg; Alan L. Balch |
Journal of publication | Inorganic Chemistry |
Year of publication | 2001 |
Journal volume | 40 |
Pages of publication | 5585 - 5595 |
a | 11.465 ± 0.003 Å |
b | 12.133 ± 0.003 Å |
c | 13.833 ± 0.003 Å |
α | 96.78 ± 0.004° |
β | 96.299 ± 0.004° |
γ | 104.384 ± 0.004° |
Cell volume | 1831.4 ± 0.8 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 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 | 0.0808 |
Residual factor for significantly intense reflections | 0.0518 |
Weighted residual factors for significantly intense reflections | 0.1273 |
Weighted residual factors for all reflections included in the refinement | 0.1433 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
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/4320380.html
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