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Information card for entry 7045818
Preview
| Coordinates | 7045818.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C57 H64 B Cu N8 O2 P2 |
|---|---|
| Calculated formula | C57 H64 B Cu N8 O2 P2 |
| Title of publication | Structure and nitrite reduction reactivity study of bio-inspired copper(i)-nitro complexes in steric and electronic considerations of tridentate nitrogen ligands. |
| Authors of publication | Chang, Yu-Lun; Lin, Ya-Fan; Chuang, Wan-Jung; Kao, Chai-Lin; Narwane, Manmath; Chen, Hsing-Yin; Chiang, Michael Y.; Hsu, Sodio C. N. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 15 |
| Pages of publication | 5335 - 5341 |
| a | 13.1118 ± 0.0003 Å |
| b | 13.2532 ± 0.0004 Å |
| c | 18.1725 ± 0.0006 Å |
| α | 96.007 ± 0.001° |
| β | 98.317 ± 0.001° |
| γ | 107.554 ± 0.002° |
| Cell volume | 2942.15 ± 0.15 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1019 |
| Residual factor for significantly intense reflections | 0.0638 |
| Weighted residual factors for significantly intense reflections | 0.1537 |
| Weighted residual factors for all reflections included in the refinement | 0.1674 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.181 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7045818.cif |
| 229855 | 2019-11-17 | cif/ Updating files of 7045817, 7045818 Original log message: Adding full bibliography for 7045817--7045818.cif. |
7045818.cif |
| 206854 | 2018-03-09 | cif/ Adding structures of 7045817, 7045818 via cif-deposit CGI script. |
7045818.cif |
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Users of the data should acknowledge the original authors of the
structural data.