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Information card for entry 7232885
Preview
| Coordinates | 7232885.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H30 Cu N4 O16 P4 |
|---|---|
| Calculated formula | C16 H30 Cu N4 O16 P4 |
| Title of publication | Deciphering preferred solid-state conformations in nitrogen-containing bisphosphonates and their coordination compounds. A case study of discrete Cu(ii) complexes based on Cα-substituted analogues of zoledronic acid: crystal structures and solid-state characterization |
| Authors of publication | Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Zierkiewicz, Wiktor; Matczak-Jon, Ewa |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 29 |
| Pages of publication | 4340 |
| a | 6.862 ± 0.004 Å |
| b | 9.864 ± 0.005 Å |
| c | 9.939 ± 0.005 Å |
| α | 95.54 ± 0.03° |
| β | 93.89 ± 0.03° |
| γ | 92.28 ± 0.03° |
| Cell volume | 667.3 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0516 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.0984 |
| Weighted residual factors for all reflections included in the refinement | 0.106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7232885.cif |
| 223467 | 2019-11-07 | cif/ Updating files of 7232883, 7232884, 7232885 Original log message: Adding full bibliography for 7232883--7232885.cif. |
7232885.cif |
| 215854 | 2019-06-12 | cif/ Adding structures of 7232883, 7232884, 7232885 via cif-deposit CGI script. |
7232885.cif |
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Users of the data should acknowledge the original authors of the
structural data.