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Information card for entry 1562279
Preview
| Coordinates | 1562279.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C37 H30 Mn N7 Sb Se4 |
|---|---|
| Calculated formula | C37 H30 Mn N7 Sb Se4 |
| SMILES | [Sb]1([Se][Mn]23([Se]1)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12)(=[Se])[Se-].n1cccc2ccc3cccnc3c12.C[NH3+] |
| Title of publication | Syntheses, crystal and band structures, and optical properties of a selenidoantimonate and an iron polyselenide |
| Authors of publication | Liu, Guang-Ning; Zhu, Wen-Juan; Zhang, Ming-Jian; Xu, Bo; Liu, Qi-Sheng; Zhang, Zhen-Wei; Li, Cuncheng |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2014 |
| Journal volume | 218 |
| Pages of publication | 109 - 115 |
| a | 15.569 ± 0.0003 Å |
| b | 10.1788 ± 0.0002 Å |
| c | 23.3104 ± 0.0004 Å |
| α | 90° |
| β | 94.958 ± 0.002° |
| γ | 90° |
| Cell volume | 3680.26 ± 0.12 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 | 0.036 |
| Residual factor for significantly intense reflections | 0.0262 |
| Weighted residual factors for significantly intense reflections | 0.0565 |
| Weighted residual factors for all reflections included in the refinement | 0.0605 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301787 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure. |
1562279.cif |
| 287936 | 2023-12-01 | cif/ Corrected the misspelt variants of the '_diffrn_reflns_av_uneti/neti' data name in entries 1562279, 1562280, 7033030-7033035. |
1562279.cif |
| 264693 | 2021-04-29 | cif/ Adding structures of 1562279, 1562280 via cif-deposit CGI script. |
1562279.cif |
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Users of the data should acknowledge the original authors of the
structural data.