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Information card for entry 7703651
Preview
| Coordinates | 7703651.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H32 Fe N12 O6 |
|---|---|
| Calculated formula | C42 H32 Fe N12 O6 |
| Title of publication | Heteroleptic iron(ii) complexes with naphthoquinone-type ligands. |
| Authors of publication | Shiga, Takuya; Kumamaru, Rina; Newton, Graham N.; Oshio, Hiroki |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 5 |
| Pages of publication | 1485 - 1491 |
| a | 11.6257 ± 0.0011 Å |
| b | 13.692 ± 0.0012 Å |
| c | 13.7914 ± 0.0012 Å |
| α | 106.572 ± 0.0012° |
| β | 111.161 ± 0.0011° |
| γ | 94.9087 ± 0.0012° |
| Cell volume | 1918.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0644 |
| Residual factor for significantly intense reflections | 0.0541 |
| Weighted residual factors for significantly intense reflections | 0.1647 |
| Weighted residual factors for all reflections included in the refinement | 0.1778 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.288 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7703651.cif |
| 248764 | 2020-03-04 | cif/ Adding structures of 7703648, 7703649, 7703650, 7703651, 7703652, 7703653, 7703654, 7703655 via cif-deposit CGI script. |
7703651.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.