Information card for entry 1563970

Structure parameters

• 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 ų
• 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