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Information card for entry 8107513
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| Coordinates | 8107513.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3-thiophenecarboxylato-? O-( 2,2'-dipyridyl -?2 N, N') manganese(II), |
|---|---|
| Formula | C21 H22 Mn N2 O7 S2 |
| Calculated formula | C21 H22 Mn N2 O7 S2 |
| Title of publication | The crystal structure of diaqua-methanol-κ1 O- (3-thiophenecarboxylato-κO)-(2,2′-dipyridyl-κ2 N,N′)manganese(II) 3-thiophenecarboxylate, C21H22N2O7S2Mn |
| Authors of publication | Shi, Zheng; Zhang, Zhongyu; Han, Bing; Li, Yunyun |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 4 |
| Pages of publication | 623 - 625 |
| a | 14.544 ± 0.006 Å |
| b | 9.636 ± 0.004 Å |
| c | 17.087 ± 0.007 Å |
| α | 90° |
| β | 96.664 ± 0.006° |
| γ | 90° |
| Cell volume | 2378.5 ± 1.7 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0434 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0967 |
| Weighted residual factors for all reflections included in the refinement | 0.1036 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286402 (current) | 2023-09-19 | cif/ Adding structures of 8107513 via cif-deposit CGI script. |
8107513.cif |
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Users of the data should acknowledge the original authors of the
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