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Information card for entry 4320380
Preview
| Coordinates | 4320380.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [CoOEB-15,19-(CN)2].acetone |
|---|---|
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4320380.cif |
| 179306 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/03. |
4320380.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4320380.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4320380.cif |
| 17288 | 2011-04-06 | ../uploads/cif-deposit/cod/cif Adding structures of 4320380 via cif-deposit CGI script. |
4320380.cif |
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Users of the data should acknowledge the original authors of the
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