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Information card for entry 8106532
Preview
| Coordinates | 8106532.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H30 Co N4 O5 |
|---|---|
| Calculated formula | C29 H30 Co N4 O5 |
| Title of publication | Crystal structure of poly-[(μ2-((1,3-bis(benzimidazol-1-yl)propane-κ2 N:N′)(μ2-4-tert-butyl-phthalato-κ2 O:O′)cobalt(II)] monohydrate, C29H30CoN4O5 |
| Authors of publication | Han, Min-Le; Wang, San-Tai; Zhou, Zhe |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 3 |
| Pages of publication | 347 - 349 |
| a | 11.6532 ± 0.001 Å |
| b | 20.1493 ± 0.0018 Å |
| c | 22.609 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5308.7 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| 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 | 0.0615 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0791 |
| Weighted residual factors for all reflections included in the refinement | 0.0909 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280505 (current) | 2023-01-21 | cif/ Adding structures of 8106532 via cif-deposit CGI script. |
8106532.cif |
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Users of the data should acknowledge the original authors of the
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