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Information card for entry 1546427
Preview
| Coordinates | 1546427.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H26 Mn N4 O6 S2 |
|---|---|
| Calculated formula | C16 H26 Mn N4 O6 S2 |
| Title of publication | Coordination effects in hydrated manganese(II) 1,3-diethyl-2-thiobarbiturates and their thermal stability |
| Authors of publication | Nicolay N. Golovnev; Maxim S. Molokeev; Irina V. Sterkhova; Maxim K. Lesnikov; Victor V. Atuchin |
| Journal of publication | Polyhedron |
| Year of publication | 2017 |
| Journal volume | 134 |
| Journal issue | 0 |
| Pages of publication | 120 - 125 |
| a | 9.1341 ± 0.0006 Å |
| b | 13.5068 ± 0.0009 Å |
| c | 16.573 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2044.7 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0355 |
| Residual factor for significantly intense reflections | 0.0266 |
| Weighted residual factors for significantly intense reflections | 0.0598 |
| Weighted residual factors for all reflections included in the refinement | 0.0637 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198234 (current) | 2017-06-29 | cif/ Adding structures of 1546427 via cif-deposit CGI script. |
1546427.cif |
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