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Information card for entry 4346010
Preview
| Coordinates | 4346010.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [Mo2(DAnif)2]2(OCH3)4(CH2Cl2)2 |
|---|---|
| Formula | C66 H76 B2 Cl4 F8 Mo4 N8 O12 |
| Calculated formula | C66 H76 B2 Cl4 F8 Mo4 N8 O12 |
| Title of publication | Transition from a Nonbonding to a Bonding Interaction in a Tetranuclear [Mo2]2(mu-OR)4 Cluster |
| Authors of publication | F. Albert Cotton; Zhong Li; Chun Y. Liu; Carlos A. Murillo; Qinliang Zhao |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Pages of publication | 6387 - 6395 |
| a | 9.9623 ± 0.0019 Å |
| b | 18.083 ± 0.003 Å |
| c | 21.83 ± 0.004 Å |
| α | 99.415 ± 0.003° |
| β | 92.164 ± 0.003° |
| γ | 103.81 ± 0.004° |
| Cell volume | 3755.4 ± 1.2 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0899 |
| Residual factor for significantly intense reflections | 0.0604 |
| Weighted residual factors for significantly intense reflections | 0.1466 |
| Weighted residual factors for all reflections included in the refinement | 0.1645 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4346010.cif |
| 231124 | 2019-11-21 | cif/ Adding structures of 4346008, 4346009, 4346010, 4346011 via cif-deposit CGI script. |
4346010.cif |
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Users of the data should acknowledge the original authors of the
structural data.