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Information card for entry 4516536
Preview
| Coordinates | 4516536.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Cu complex |
|---|---|
| Formula | C61 H44 Cu2 N6 O12 P4 |
| Calculated formula | C61 H44 Cu2 N6 O12 P4 |
| Title of publication | Synthesis of Cu(II)-Organophosphonate Framework with Predefined Void Spaces |
| Authors of publication | Bulut, Aysun; Zorlu, Yunus; Kirpi, Erdoğan; Çetinkaya, Ahmet; Wörle, Michael; Beckmann, Jens; Yücesan, Gündoğ |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 12 |
| Pages of publication | 5665 |
| a | 11.8953 ± 0.0009 Å |
| b | 13.1283 ± 0.001 Å |
| c | 22.3913 ± 0.0018 Å |
| α | 77.037 ± 0.005° |
| β | 89.771 ± 0.004° |
| γ | 69.057 ± 0.004° |
| Cell volume | 3171.3 ± 0.4 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 ± 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 | 0.0742 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1351 |
| Weighted residual factors for all reflections included in the refinement | 0.1439 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231369 (current) | 2019-11-22 | cif/ Adding structures of 4516536 via cif-deposit CGI script. |
4516536.cif |
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Users of the data should acknowledge the original authors of the
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