Information card for entry 7055555

Structure parameters

• Chemical name: dichlorido-4,7-diphenyl-2,9-dimethyl-1,10-phenantrolinecobalt(II)
• Formula: C26 H20 Cl2 Co N2
• Calculated formula: C26 H20 Cl2 Co N2
• SMILES: [Co]1(Cl)(Cl)[n]2c3c4[n]1c(C)cc(c4ccc3c(c1ccccc1)cc2C)c1ccccc1
• Title of publication: Tetracoordinate Co(ii) complexes containing bathocuproine and single molecule magnetism
• Authors of publication: Smolko, Lukáš; Černák, Juraj; Dušek, Michal; Titiš, Ján; Boča, Roman
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 8
• Pages of publication: 6593
• a: 12.9207 ± 0.0002 Å
• b: 22.2792 ± 0.0007 Å
• c: 7.8597 ± 0.0004 Å
• α: 90°
• β: 102.627 ± 0.003°
• γ: 90°
• Cell volume: 2207.79 ± 0.14 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 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: 0.0385
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for significantly intense reflections: 1.42
• Goodness-of-fit parameter for all reflections included in the refinement: 1.4
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No