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Information card for entry 4344395
Preview
| Coordinates | 4344395.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H69 Cl N3 P3 Ti |
|---|---|
| Calculated formula | C42 H69 Cl N3 P3 Ti |
| SMILES | [Ti](Cl)(N(c1cc(C)cc(C)c1)P(C(C)C)C(C)C)(N(c1cc(C)cc(C)c1)P(C(C)C)C(C)C)N(c1cc(C)cc(C)c1)P(C(C)C)C(C)C |
| Title of publication | Heterobimetallic Ti/Co Complexes That Promote Catalytic N-N Bond Cleavage. |
| Authors of publication | Wu, Bing; Gramigna, Kathryn M.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 22 |
| Pages of publication | 10909 - 10917 |
| a | 16.8643 ± 0.0008 Å |
| b | 14.518 ± 0.0007 Å |
| c | 17.9633 ± 0.001 Å |
| α | 90° |
| β | 96.497 ± 0.003° |
| γ | 90° |
| Cell volume | 4369.8 ± 0.4 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 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 | 0.0433 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for all reflections | 0.0865 |
| Weighted residual factors for significantly intense reflections | 0.075 |
| Weighted residual factors for all reflections included in the refinement | 0.0865 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0306 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
4344395.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4344395.cif |
| 170788 | 2015-12-06 | cif/ Updating files of 4344395, 4344396, 4344397, 4344398, 4344399, 4344400, 4344401, 4344402 Original log message: Adding full bibliography for 4344395--4344402.cif. |
4344395.cif |
| 169725 | 2015-10-24 | cif/ Adding structures of 4344395, 4344396, 4344397, 4344398, 4344399, 4344400, 4344401, 4344402 via cif-deposit CGI script. |
4344395.cif |
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Users of the data should acknowledge the original authors of the
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