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Information card for entry 1543368
Preview
| Coordinates | 1543368.cif |
|---|---|
| Structure factors | 1543368.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Aqua(4-bromobenzoato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) 4-bromobenzoate dihydrate |
|---|---|
| Formula | C38 H30 Br2 Mn N4 O7 |
| Calculated formula | C38 H30 Br2 Mn N4 O7 |
| SMILES | Brc1ccc(cc1)C(=O)[O-].Brc1ccc(C(=O)O[Mn]23([OH2])([n]4cccc5ccc6ccc[n]2c6c45)[n]2cccc4ccc5ccc[n]3c5c24)cc1.O.O |
| Title of publication | Aqua(4-bromobenzoato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) 4-bromobenzoate dihydrate |
| Authors of publication | Hu, Ling-Xia; Zhang, Bi-Song |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 5 |
| Pages of publication | x160833 |
| a | 14.193 ± 0.003 Å |
| b | 11.912 ± 0.002 Å |
| c | 21.253 ± 0.004 Å |
| α | 90° |
| β | 93.86 ± 0.03° |
| γ | 90° |
| Cell volume | 3585 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1008 |
| Residual factor for significantly intense reflections | 0.0555 |
| Weighted residual factors for significantly intense reflections | 0.1411 |
| Weighted residual factors for all reflections included in the refinement | 0.2049 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183131 (current) | 2016-05-28 | cif/ hkl/ Adding structures of 1543368 via cif-deposit CGI script. |
1543368.cif 1543368.hkl |
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Users of the data should acknowledge the original authors of the
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