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Information card for entry 4084755
Preview
| Coordinates | 4084755.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H66 F12 Ni2 O2 P6 |
|---|---|
| Calculated formula | C28 H66 F12 Ni2 O2 P6 |
| Title of publication | Synthesis of Low-Valent Nickel Complexes in Aqueous Media, Mechanistic Insights, and Selected Applications |
| Authors of publication | Morales-Becerril, Illán; Flores-Álamo, Marcos; Tlahuext-Aca, Adrián; Arévalo, Alma; García, Juventino J. |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 23 |
| Pages of publication | 6796 |
| a | 8.7486 ± 0.0003 Å |
| b | 21.4248 ± 0.0006 Å |
| c | 12.2178 ± 0.0004 Å |
| α | 90° |
| β | 109.027 ± 0.003° |
| γ | 90° |
| Cell volume | 2164.95 ± 0.13 Å3 |
| Cell temperature | 105 ± 2 K |
| Ambient diffraction temperature | 105 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0618 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.1044 |
| Weighted residual factors for all reflections included in the refinement | 0.1149 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4084755.cif |
| 178736 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/47. |
4084755.cif |
| 131476 | 2015-02-07 | cif/ Updating files of 4084755, 4084756, 4084757, 4084758, 4084759, 4084760 Original log message: Adding full bibliography for 4084755--4084760.cif. |
4084755.cif |
| 127444 | 2014-11-16 | cif/ Adding structures of 4084755, 4084756, 4084757, 4084758, 4084759, 4084760 via cif-deposit CGI script. |
4084755.cif |
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Users of the data should acknowledge the original authors of the
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