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Information card for entry 4302942
Preview
| Coordinates | 4302942.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H25 Cu N4 O |
|---|---|
| Calculated formula | C38 H25 Cu N4 O |
| SMILES | [Cu]123[n]4c5C(=c6n3c(=C(c3[n]1c(cc3)=C(c1[n]2c(=c4cc5)cc1)c1ccccc1)c1ccc(OC)cc1)cc6)c1ccccc1 |
| Title of publication | Copper Corroles Are Inherently Saddled |
| Authors of publication | Abraham B. Alemayehu; Emmanuel Gonzalez; Lars Kristian Hansen; Abhik Ghosh |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 7794 - 7799 |
| a | 10.489 ± 0.006 Å |
| b | 22.164 ± 0.012 Å |
| c | 12.456 ± 0.007 Å |
| α | 90° |
| β | 90.383 ± 0.014° |
| γ | 90° |
| Cell volume | 2896 ± 3 Å3 |
| Cell temperature | 293.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0609 |
| Weighted residual factors for all reflections included in the refinement | 0.0723 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4302942.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4302942.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4302942.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4302942.cif |
| 1125 | 2010-04-25 | cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition. |
4302942.cif |
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Users of the data should acknowledge the original authors of the
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