Information card for entry 7238912

Structure parameters

• Formula: C61 H36 Br8 Cl2 Co2 N8 O13
• Calculated formula: C61 H36 Br8 Cl2 Co2 N8 O13
• Title of publication: A series of tetrabromocatecholate chelated cobalt(iii) complexes with various N-donor ancillary ligands: syntheses, crystal structures, co-crystallization, thermally induced valence tautomerism and electrochemical studies
• Authors of publication: Panja, Anangamohan
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 15
• Pages of publication: 4954
• a: 14.845 ± 0.003 Å
• b: 15.798 ± 0.003 Å
• c: 16.567 ± 0.003 Å
• α: 115.922 ± 0.001°
• β: 103.402 ± 0.001°
• γ: 102.119 ± 0.001°
• Cell volume: 3176.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No