Information card for entry 2108422

Structure parameters

• Formula: C18 H16 Co N6 O6
• Calculated formula: C18 H16 Co N6 O6
• SMILES: [Co]1([n]2c([nH]cc2)c2ccccc2)([n]2c([nH]cc2)c2ccccc2)(ON(=[O]1)=O)ON(=O)=O
• Title of publication: Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes
• Authors of publication: Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 4
• a: 9.4982 ± 0.0009 Å
• b: 14.9627 ± 0.0011 Å
• c: 14.5081 ± 0.0014 Å
• α: 90°
• β: 107.938 ± 0.01°
• γ: 90°
• Cell volume: 1961.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes