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Information card for entry 4081157
Preview
| Coordinates | 4081157.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34.5 H28.5 Cl6 N3 O6 Rh2 S2 |
|---|---|
| Calculated formula | C34.5 H28.5 Cl6 N3 O6 Rh2 S2 |
| Title of publication | Cyclometalation of Anthyridine-Based Ligands with Dirhodium Acetates: Structure and Catalytic Activity |
| Authors of publication | Huang, Da-wei; Lo, Ying-Hao; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 14 |
| Pages of publication | 4009 |
| a | 12.4138 ± 0.0003 Å |
| b | 12.6953 ± 0.0003 Å |
| c | 15.1813 ± 0.0004 Å |
| α | 99.515 ± 0.002° |
| β | 98.669 ± 0.002° |
| γ | 115.686 ± 0.002° |
| Cell volume | 2058.81 ± 0.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0958 |
| Residual factor for significantly intense reflections | 0.0597 |
| Weighted residual factors for significantly intense reflections | 0.1563 |
| Weighted residual factors for all reflections included in the refinement | 0.1838 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4081157.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4081157.cif |
| 88015 | 2013-08-27 | cif/ Adding structures of 4081157, 4081158, 4081159 via cif-deposit CGI script. |
4081157.cif |
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Users of the data should acknowledge the original authors of the
structural data.