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Information card for entry 4331123
Preview
| Coordinates | 4331123.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H52 B N7 Ni O |
|---|---|
| Calculated formula | C42 H52 B N7 Ni O |
| Title of publication | Tris(carbene)borate Ligands Featuring Imidazole-2-ylidene, Benzimidazol-2-ylidene, and 1,3,4-Triazol-2-ylidene Donors. Evaluation of Donor Properties in Four-Coordinate {NiNO}10 Complexes |
| Authors of publication | Salvador B. Muñoz; Wallace K. Foster; Hsiu-Jung Lin; Charles G. Margarit; Diane A. Dickie; Jeremy M. Smith |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 12660 - 12668 |
| a | 19.241 ± 0.004 Å |
| b | 10.847 ± 0.003 Å |
| c | 22.885 ± 0.005 Å |
| α | 90° |
| β | 123.991 ± 0.014° |
| γ | 90° |
| Cell volume | 3960.1 ± 1.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.2134 |
| Residual factor for significantly intense reflections | 0.0876 |
| Weighted residual factors for significantly intense reflections | 0.1976 |
| Weighted residual factors for all reflections included in the refinement | 0.2528 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.97 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288505 (current) | 2023-12-22 | Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name. |
4331123.cif |
| 179414 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/11. |
4331123.cif |
| 80586 | 2013-04-08 | cif/ Adding structures of 4331123 via cif-deposit CGI script. |
4331123.cif |
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Users of the data should acknowledge the original authors of the
structural data.