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Information card for entry 7228631
Preview
| Coordinates | 7228631.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H32 Cl2 Cu2 N6 O12 |
|---|---|
| Calculated formula | C44 H32 Cl2 Cu2 N6 O12 |
| Title of publication | Interaction Between Aromatic Rings as Organizing Tools and Semicoordination in Cu(II) Compounds. |
| Authors of publication | Valdes-Martinez, Jesus; Martínez-Vargas, Sergio; Dorazco-Gonzalez, Alejandro; Barquera-Lozada, Jose Enrique; Ortega, Simon Hernandez; Toscano, Ruben Alfredo |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 24.267 ± 0.003 Å |
| b | 16.0881 ± 0.0019 Å |
| c | 12.0926 ± 0.0015 Å |
| α | 90° |
| β | 115.822 ± 0.003° |
| γ | 90° |
| Cell volume | 4249.7 ± 0.9 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1485 |
| Residual factor for significantly intense reflections | 0.0884 |
| Weighted residual factors for significantly intense reflections | 0.1795 |
| Weighted residual factors for all reflections included in the refinement | 0.2077 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198446 (current) | 2017-07-05 | cif/ Adding structures of 7228631, 7228632, 7228633 via cif-deposit CGI script. |
7228631.cif |
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Users of the data should acknowledge the original authors of the
structural data.