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Information card for entry 4087400
Preview
| Coordinates | 4087400.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C88 H104 Ca4 O13 |
|---|---|
| Calculated formula | C88 H104 Ca4 O13 |
| Title of publication | Synthesis, Structural Characterization, and Reactivity of a Fluorene-Based Calcium Oxycyclopentadienide Complex |
| Authors of publication | Wei, Baosheng; Li, Heng; Zhang, Wen-Xiong; Xi, Zhenfeng |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 7 |
| Pages of publication | 1339 |
| a | 13.492 ± 0.003 Å |
| b | 15.653 ± 0.003 Å |
| c | 19.514 ± 0.004 Å |
| α | 109.69 ± 0.03° |
| β | 92.03 ± 0.03° |
| γ | 91.21 ± 0.03° |
| Cell volume | 3875.4 ± 1.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.078 |
| Residual factor for significantly intense reflections | 0.0662 |
| Weighted residual factors for significantly intense reflections | 0.1558 |
| Weighted residual factors for all reflections included in the refinement | 0.1629 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236775 (current) | 2019-11-24 | cif/ Adding structures of 4087400, 4087401 via cif-deposit CGI script. |
4087400.cif |
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Users of the data should acknowledge the original authors of the
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