Information card for entry 2108421

Structure parameters

• Formula: C18 H16 Co I2 N4
• Calculated formula: C18 H16 Co I2 N4
• SMILES: I[Co](I)([n]1c([nH]cc1)c1ccccc1)[n]1c([nH]cc1)c1ccccc1
• 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: 7.5817 ± 0.0004 Å
• b: 18.625 ± 0.001 Å
• c: 14.2346 ± 0.0011 Å
• α: 90°
• β: 100.448 ± 0.007°
• γ: 90°
• Cell volume: 1976.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0251
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes