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Information card for entry 8104726
Preview
| Coordinates | 8104726.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H44 Co4 N8 O26 |
|---|---|
| Calculated formula | C36 H44 Co4 N8 O26 |
| Title of publication | Crystal structure of bis{tetraaqua-[μ3-1-(4-carboxylatophenyl)-5-methyl-1H-pyrazole-3-carboxylate-κ4 N,O,O′,O″] [μ2-1-methyl-1H-pyrazole-3,5-dicarboxylate-κ3 N,O:O]dicobalt(II)} dihydrate, C36H44Co4N8O26 |
| Authors of publication | Li, Fenfang; Liu, Xiuping |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 4 |
| Pages of publication | 831 - 833 |
| a | 6.6434 ± 0.0004 Å |
| b | 9.3788 ± 0.0005 Å |
| c | 18.5581 ± 0.001 Å |
| α | 86.262 ± 0.002° |
| β | 89.642 ± 0.002° |
| γ | 84.726 ± 0.002° |
| Cell volume | 1148.96 ± 0.11 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0302 |
| Residual factor for significantly intense reflections | 0.0258 |
| Weighted residual factors for significantly intense reflections | 0.0659 |
| Weighted residual factors for all reflections included in the refinement | 0.0679 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.268 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273603 (current) | 2022-03-10 | cif/ Adding structures of 8104726 via cif-deposit CGI script. |
8104726.cif |
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Users of the data should acknowledge the original authors of the
structural data.