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Information card for entry 8107654
Preview
| Coordinates | 8107654.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | ?3-thiophenecarboxylato-κ2OO??-(1,10-phenanthroline-κ2N,N')manganese(II), |
|---|---|
| Formula | C54 H34 Mn3 N4 O12 S6 |
| Calculated formula | C54 H34 Mn3 N4 O12 S6 |
| Title of publication | The crystal structure of hexakis(3-thiophenecarboxylato-κ 2 O,O″)-bis(1,10-phenanthroline-κ 2 N,N′) trimanganese(II), C54H34N4O12S6Mn3 |
| Authors of publication | Zhou, Lili; Zhang, Zhongyu; Men, Xiaoxia; Zhang, Yaxuan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 6 |
| Pages of publication | 1039 - 1041 |
| a | 11.014 ± 0.0004 Å |
| b | 22.3222 ± 0.0009 Å |
| c | 11.2886 ± 0.0005 Å |
| α | 90° |
| β | 105.436 ± 0.001° |
| γ | 90° |
| Cell volume | 2675.27 ± 0.19 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273.15 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 | 0.0458 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for significantly intense reflections | 0.0793 |
| Weighted residual factors for all reflections included in the refinement | 0.0846 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287726 (current) | 2023-11-22 | cif/ Adding structures of 8107654 via cif-deposit CGI script. |
8107654.cif |
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Users of the data should acknowledge the original authors of the
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