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Information card for entry 1544436
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| Coordinates | 1544436.cif |
|---|---|
| Structure factors | 1544436.hkl |
| Original IUCr paper | HTML |
| Common name | (H2dab)[Mn2(ox)3].6H2O |
|---|---|
| Chemical name | Poly[butane-1,4-diammonium [tri-μ-oxalato-dimanganese(II)] hexahydrate] |
| Formula | C10 H26 Mn2 N2 O18 |
| Calculated formula | C10 H26 Mn2 N2 O18 |
| Title of publication | Poly[butane-1,4-diammonium [tri-μ-oxalato-dimanganese(II)] hexahydrate] |
| Authors of publication | Sadakiyo, Masaaki; Yamada, Teppei; Kitagawa, Hiroshi |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 11 |
| Pages of publication | x161639 |
| a | 8.2623 ± 0.0008 Å |
| b | 16.1821 ± 0.0015 Å |
| c | 9.4702 ± 0.0009 Å |
| α | 90° |
| β | 111.917 ± 0.001° |
| γ | 90° |
| Cell volume | 1174.66 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.024 |
| Residual factor for significantly intense reflections | 0.0222 |
| Weighted residual factors for significantly intense reflections | 0.0546 |
| Weighted residual factors for all reflections included in the refinement | 0.0562 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187747 (current) | 2016-11-02 | cif/ hkl/ Adding structures of 1544436 via cif-deposit CGI script. |
1544436.cif 1544436.hkl |
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Users of the data should acknowledge the original authors of the
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