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Information card for entry 7134466
Preview
| Coordinates | 7134466.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H78 Ca O4 P4 |
|---|---|
| Calculated formula | C44 H78 Ca O4 P4 |
| Title of publication | PCP and POCOP complexes of calcium |
| Authors of publication | Messori, Alessandro; Potocnik, Marcel; Collins, Richard; Kraemer, Tobias; Chadwick, Mark; Belazregue, Sara |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 23.5873 ± 0.0007 Å |
| b | 11.5583 ± 0.0002 Å |
| c | 20.9001 ± 0.0007 Å |
| α | 90° |
| β | 119.236 ± 0.004° |
| γ | 90° |
| Cell volume | 4972.1 ± 0.3 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0443 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.0943 |
| Weighted residual factors for all reflections included in the refinement | 0.1028 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| 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 |
|---|---|---|---|
| 299437 (current) | 2025-04-29 | cif/ Adding structures of 7134464, 7134465, 7134466, 7134467, 7134468 via cif-deposit CGI script. |
7134466.cif |
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Users of the data should acknowledge the original authors of the
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