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Information card for entry 8106876
Preview
| Coordinates | 8106876.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H18 Co N12 O2 |
|---|---|
| Calculated formula | C22 H18 Co N12 O2 |
| Title of publication | Crystal structure of trans-diaqua-bis(3-(pyrazin-2-yl)-5-(pyridin-4-yl)1,2,4-triazol-1-ido-κ2 N,N′)-cobalt(II),C22H18CoN12O2 |
| Authors of publication | Liu, Jing |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 2 |
| Pages of publication | 365 - 367 |
| a | 10.613 ± 0.008 Å |
| b | 12.412 ± 0.009 Å |
| c | 9.217 ± 0.007 Å |
| α | 90° |
| β | 113.821 ± 0.009° |
| γ | 90° |
| Cell volume | 1110.7 ± 1.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0544 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.1285 |
| Weighted residual factors for all reflections included in the refinement | 0.1435 |
| 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 |
|---|---|---|---|
| 281733 (current) | 2023-03-08 | cif/ Adding structures of 8106876 via cif-deposit CGI script. |
8106876.cif |
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Users of the data should acknowledge the original authors of the
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