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Information card for entry 1563969
Preview
| Coordinates | 1563969.cif |
|---|---|
| Structure factors | 1563969.hkl |
| Original paper (by DOI) | HTML |
| Formula | C32 H28 Co2 N6 O12 |
|---|---|
| Calculated formula | C32 H28 Co2 N6 O12 |
| SMILES | c12C(=O)O[Co]3([n]4ccn(c4)c4ccc(c5ccc(n6c[n](cc6)[Co]67([n]8c(C(=O)O6)cccc8C(=O)O7)([OH2])[OH2])cc5)cc4)([OH2])([n]2c(C(=O)O3)ccc1)[OH2] |
| Title of publication | Mixed-ligand coordination compounds based on the rigid 4,4′-bis(1-imidazolyl)biphenyl and pyridinedicarboxylate ligands |
| Authors of publication | Voda, Irina; Makhloufi, Gamall; Druta, Vadim; Lozan, Vasile; Shova, Sergiu; Bourosh, Paulina; Kravtsov, Victor; Janiak, Christoph |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2018 |
| Journal volume | 482 |
| Pages of publication | 526 - 534 |
| a | 21.3526 ± 0.0006 Å |
| b | 7.2743 ± 0.0002 Å |
| c | 20.6195 ± 0.0006 Å |
| α | 90° |
| β | 92.036 ± 0.003° |
| γ | 90° |
| Cell volume | 3200.71 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0661 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.0819 |
| Weighted residual factors for all reflections included in the refinement | 0.0921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267284 (current) | 2021-07-06 | cif/ hkl/ Adding structures of 1563969 via cif-deposit CGI script. |
1563969.cif 1563969.hkl |
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Users of the data should acknowledge the original authors of the
structural data.