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Information card for entry 7022319
Preview
| Coordinates | 7022319.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H30 N2 |
|---|---|
| Calculated formula | C34 H30 N2 |
| SMILES | N(c1c(cc(cc1C)C)C)=C1c2c3c4c(C1=Nc1c(cc(cc1C)C)C)cccc4ccc3ccc2 |
| Title of publication | Nickel(II) complexes bearing 4,5-bis(arylimino)pyrenylidenes: synthesis, characterization, and ethylene polymerization behaviour. |
| Authors of publication | Song, Kuifeng; Yang, Wenhong; Li, Baixiang; Liu, Qingbin; Redshaw, Carl; Li, Yuesheng; Sun, Wen-Hua |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 25 |
| Pages of publication | 9166 - 9175 |
| a | 8.8655 ± 0.0018 Å |
| b | 11.826 ± 0.002 Å |
| c | 13.45 ± 0.003 Å |
| α | 88.28 ± 0.03° |
| β | 75.63 ± 0.03° |
| γ | 70.27 ± 0.03° |
| Cell volume | 1283.6 ± 0.5 Å3 |
| Cell temperature | 446 ± 2 K |
| Ambient diffraction temperature | 446 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0951 |
| Residual factor for significantly intense reflections | 0.082 |
| Weighted residual factors for significantly intense reflections | 0.2297 |
| Weighted residual factors for all reflections included in the refinement | 0.2475 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7022319.cif |
| 179928 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/23. |
7022319.cif |
| 90040 | 2013-11-17 | cif/ Adding structures of 7022319, 7022320, 7022321, 7022322 via cif-deposit CGI script. |
7022319.cif |
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Users of the data should acknowledge the original authors of the
structural data.