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Information card for entry 7134465
Preview
| Coordinates | 7134465.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H62 Ca O4 P4 |
|---|---|
| Calculated formula | C36 H62 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 | 17.9482 ± 0.0004 Å |
| b | 17.8327 ± 0.0004 Å |
| c | 12.6949 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4063.19 ± 0.16 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0405 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for all reflections | 0.0886 |
| Weighted residual factors for significantly intense reflections | 0.0832 |
| Weighted residual factors for all reflections included in the refinement | 0.0886 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0824 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7134465.cif |
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Users of the data should acknowledge the original authors of the
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