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Information card for entry 7712861
Preview
| Coordinates | 7712861.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C86 H62 Br2 Ca2 N4 O4 |
|---|---|
| Calculated formula | C86 H62 Br2 Ca2 N4 O4 |
| Title of publication | A 2,2’-Bipyridyl Calcium Complex: Synthesis, Structure and Reactivity Studies |
| Authors of publication | Wu, Lingfeng; Wang, Zhenghui; Liu, Yumiao; Chen, Liang; Ren, Wenshan |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 11.1141 ± 0.0004 Å |
| b | 12.0745 ± 0.0003 Å |
| c | 14.6995 ± 0.0005 Å |
| α | 78.371 ± 0.002° |
| β | 70.616 ± 0.003° |
| γ | 68.461 ± 0.003° |
| Cell volume | 1723.71 ± 0.11 Å3 |
| Cell temperature | 180 ± 0.1 K |
| Ambient diffraction temperature | 180 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0316 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for significantly intense reflections | 0.0754 |
| Weighted residual factors for all reflections included in the refinement | 0.0778 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282834 (current) | 2023-04-26 | cif/ Adding structures of 7712858, 7712859, 7712860, 7712861, 7712862, 7712863, 7712864 via cif-deposit CGI script. |
7712861.cif |
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Users of the data should acknowledge the original authors of the
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