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Information card for entry 8105788
Preview
| Coordinates | 8105788.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H40 Mn N14 O2 S2 |
|---|---|
| Calculated formula | C34 H40 Mn N14 O2 S2 |
| Title of publication | Crystal structure of catena-poly[(bis(μ-1,1′-[(5-methoxy-2,4,6-trimethyl-1,3-phenylene)bis(methylene)]bis(1H-1,2,4-triazole)-κ 2 N:N′)-bis(isothiocyanato-κN)manganese(II)], C34H40MnN14O2S2 |
| Authors of publication | Wang, Mengyang; Yang, Kaiqiang; Wang, Yujiu; Ying, Ying |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 3 |
| Pages of publication | 587 - 588 |
| a | 9.1383 ± 0.0004 Å |
| b | 9.5039 ± 0.0006 Å |
| c | 10.5526 ± 0.0006 Å |
| α | 91.564 ± 0.004° |
| β | 94.624 ± 0.005° |
| γ | 91.737 ± 0.004° |
| Cell volume | 912.68 ± 0.09 Å3 |
| Cell temperature | 124.95 ± 0.1 K |
| Ambient diffraction temperature | 124.95 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0467 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0836 |
| Weighted residual factors for all reflections included in the refinement | 0.091 |
| 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 | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277923 (current) | 2022-09-16 | cif/ Adding structures of 8105788 via cif-deposit CGI script. |
8105788.cif |
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Users of the data should acknowledge the original authors of the
structural data.