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Information card for entry 4120717
Preview
| Coordinates | 4120717.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C41 H65 Cr N4 Ni O0.5 P3 |
|---|---|
| Calculated formula | C41 H65 Cr N4 Ni O0.5 P3 |
| Title of publication | Systematic Variation of Metal-Metal Bond Order in Metal-Chromium Complexes |
| Authors of publication | Laura J. Clouston; Randall B. Siedschlag; P. Alex Rudd; Nora Planas; Shuxian Hu; Adam D. Miller; Laura Gagliardi; Connie C. Lu |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2013 |
| Journal volume | 135 |
| Pages of publication | 13142 - 13148 |
| a | 11.1205 ± 0.0016 Å |
| b | 14.167 ± 0.002 Å |
| c | 14.256 ± 0.002 Å |
| α | 71.694 ± 0.002° |
| β | 83.745 ± 0.002° |
| γ | 81.854 ± 0.002° |
| Cell volume | 2105.8 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0852 |
| Residual factor for significantly intense reflections | 0.0592 |
| Weighted residual factors for significantly intense reflections | 0.1611 |
| Weighted residual factors for all reflections included in the refinement | 0.1835 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4120717.cif |
| 178984 | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/07. |
4120717.cif |
| 106819 | 2014-03-17 | cif/ Adding structures of 4120717 via cif-deposit CGI script. |
4120717.cif |
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Users of the data should acknowledge the original authors of the
structural data.