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Information card for entry 7112912
Preview
| Coordinates | 7112912.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H74 Co I N3 P3 Zr |
|---|---|
| Calculated formula | C45 H74 Co I N3 P3 Zr |
| SMILES | I[Co]123[Zr]4(N(c5c(cc(cc5C)C)C)[P]1(C(C)C)C(C)C)(N(c1c(cc(cc1C)C)C)[P]2(C(C)C)C(C)C)N(c1c(cc(cc1C)C)[CH2]34)[P](C(C)C)C(C)C |
| Title of publication | Oxidative addition across Zr/Co multiple bonds in early/late heterobimetallic complexes. |
| Authors of publication | Thomas, Christine M.; Napoline, J. Wesley; Rowe, Gerard T.; Foxman, Bruce M. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2010 |
| Journal volume | 46 |
| Journal issue | 31 |
| Pages of publication | 5790 - 5792 |
| a | 12.6346 ± 0.001 Å |
| b | 29.449 ± 0.002 Å |
| c | 13.3675 ± 0.001 Å |
| α | 90° |
| β | 106.141 ± 0.004° |
| γ | 90° |
| Cell volume | 4777.7 ± 0.6 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0417 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for all reflections | 0.0859 |
| Weighted residual factors for significantly intense reflections | 0.0819 |
| Weighted residual factors for all reflections included in the refinement | 0.0859 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288252 (current) | 2023-12-12 | cif/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9842. This change affected only the misspelt variants of the '_diffrn_measurement_device_type' data name. |
7112912.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7112912.cif |
| 112158 | 2014-04-30 | cif/ Adding structures of 7112910, 7112911, 7112912, 7112913, 7112914 via cif-deposit CGI script. |
7112912.cif |
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Users of the data should acknowledge the original authors of the
structural data.