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Information card for entry 1563970
Preview
| Coordinates | 1563970.cif |
|---|---|
| Structure factors | 1563970.hkl |
| Original paper (by DOI) | HTML |
| Formula | C32 H28 N6 Ni2 O12 |
|---|---|
| Calculated formula | C32 H28 N6 Ni2 O12 |
| SMILES | c12C(=O)O[Ni]3([n]4cn(cc4)c4ccc(c5ccc(n6c[n](cc6)[Ni]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 | 21.2949 ± 0.001 Å |
| b | 7.22 ± 0.0005 Å |
| c | 20.5173 ± 0.001 Å |
| α | 90° |
| β | 91.356 ± 0.004° |
| γ | 90° |
| Cell volume | 3153.6 ± 0.3 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 | 0.0467 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0798 |
| Weighted residual factors for all reflections included in the refinement | 0.0867 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267286 (current) | 2021-07-06 | cif/ hkl/ Updating files of 1563970 Original log message: Adding Fobs data. |
1563970.cif 1563970.hkl |
| 267285 | 2021-07-06 | cif/ Adding structures of 1563970 via cif-deposit CGI script. |
1563970.cif |
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Users of the data should acknowledge the original authors of the
structural data.