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Information card for entry 4328993
Preview
| Coordinates | 4328993.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | tetra-(4-ethoxycarbonyl benzoate)- bis-acetone- dirhodium (II,II),hexane solvate |
|---|---|
| Formula | C52 H62 O18 Rh2 |
| Calculated formula | C52 H62 O18 Rh2 |
| SMILES | C1(=[O][Rh]234([O]=C(c5ccc(cc5)C(=O)OCC)O[Rh]4([O]=C(O3)c3ccc(cc3)C(=O)OCC)([O]=C(c3ccc(cc3)C(=O)OCC)O2)(O1)[O]=C(C)C)[O]=C(C)C)c1ccc(cc1)C(=O)OCC.CCCCCC |
| Title of publication | Dirhodium Paddlewheel with Functionalized Carboxylate Bridges: New Building Block for Self-Assembly and Immobilization on Solid Support |
| Authors of publication | D. Krishna Kumar; Alexander S. Filatov; Margaret Napier; Jinyu Sun; Evgeny V. Dikarev; Marina A. Petrukhina |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 4855 - 4861 |
| a | 9.8635 ± 0.0013 Å |
| b | 13.1392 ± 0.0017 Å |
| c | 20.333 ± 0.003 Å |
| α | 90° |
| β | 94.94 ± 0.002° |
| γ | 90° |
| Cell volume | 2625.3 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0307 |
| Residual factor for significantly intense reflections | 0.0279 |
| Weighted residual factors for significantly intense reflections | 0.0731 |
| Weighted residual factors for all reflections included in the refinement | 0.0754 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4328993.cif |
| 179392 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/89. |
4328993.cif |
| 78033 | 2013-04-01 | cif/ Adding structures of 4328993 via cif-deposit CGI script. |
4328993.cif |
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Users of the data should acknowledge the original authors of the
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