Information card for entry 2108427

Structure parameters

• Formula: C20 H16 Co N6 S2
• Calculated formula: C20 H16 Co N6 S2
• SMILES: [Co](N=C=S)([n]1c[nH]c(c1)c1ccccc1)(N=C=S)[n]1c[nH]c(c1)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: 24.4747 ± 0.0019 Å
• b: 5.5932 ± 0.0005 Å
• c: 14.8644 ± 0.0016 Å
• α: 90°
• β: 94.172 ± 0.008°
• γ: 90°
• Cell volume: 2029.4 ± 0.3 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: 0.044
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes