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Information card for entry 7029716
Preview
| Coordinates | 7029716.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C39 H46 N2 Ni P4 |
|---|---|
| Calculated formula | C39 H46 N2 Ni P4 |
| SMILES | c1c2n([P]([Ni]([P](n3c(ccc3)C2)(c2ccccc2)c2ccccc2)([P](C)(C)C)[P](C)(C)C)(c2ccccc2)c2ccccc2)cc1 |
| Title of publication | A new PC(sp(3))P ligand and its coordination chemistry with low-valent iron, cobalt and nickel complexes. |
| Authors of publication | Zhu, Gengyu; Li, Xiaoyan; Xu, Guoqiang; Wang, Lin; Sun, Hongjian |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 23 |
| Pages of publication | 8595 - 8598 |
| a | 19.893 ± 0.008 Å |
| b | 10.313 ± 0.004 Å |
| c | 18.369 ± 0.008 Å |
| α | 90° |
| β | 99.993 ± 0.007° |
| γ | 90° |
| Cell volume | 3711 ± 3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.077 |
| Residual factor for significantly intense reflections | 0.0435 |
| Weighted residual factors for significantly intense reflections | 0.0946 |
| Weighted residual factors for all reflections included in the refinement | 0.1107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| 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. |
7029716.cif |
| 180003 | 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 7/02/97. |
7029716.cif |
| 116277 | 2014-06-07 | cif/ Updating files of 7029713, 7029714, 7029715, 7029716 Original log message: Adding full bibliography for 7029713--7029716.cif. |
7029716.cif |
| 109503 | 2014-04-15 | cif/ Adding structures of 7029713, 7029714, 7029715, 7029716 via cif-deposit CGI script. |
7029716.cif |
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