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Information card for entry 2206933
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| Coordinates | 2206933.cif |
|---|---|
| Structure factors | 2206933.hkl |
| Original IUCr paper | HTML |
| Chemical name | μ-Adipato-κ^4^O,O':O'',O'''-bis[aqua(2,9-dimethyl-1,10-phenanthroline- κ^2^N,N)nitratocadmium(II)] dihydrate |
|---|---|
| Formula | C34 H40 Cd2 N6 O14 |
| Calculated formula | C34 H40 Cd2 N6 O14 |
| SMILES | c1([n]2c3c(cc1)ccc1ccc([n](c31)[Cd]132(ON(=O)=[O]1)([O]=C(O3)CCCCC1=[O][Cd]23([n]4c(ccc5ccc6ccc([n]2c6c45)C)C)(ON(=O)=[O]3)(O1)[OH2])[OH2])C)C.O.O |
| Title of publication | μ-Adipato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''-bis[aqua(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>)nitratocadmium(II)] dihydrate |
| Authors of publication | Cai-Feng Ding; Mei Zhu; Xue-Mei Li; Ping-Kai Ouyang; Shu-Sheng Zhang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 10 |
| Pages of publication | m2058 - m2059 |
| a | 24.438 ± 0.002 Å |
| b | 11.2315 ± 0.001 Å |
| c | 13.8799 ± 0.0012 Å |
| α | 90° |
| β | 96.969 ± 0.001° |
| γ | 90° |
| Cell volume | 3781.5 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0301 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.0661 |
| Weighted residual factors for all reflections included in the refinement | 0.0681 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|
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Users of the data should acknowledge the original authors of the
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