Information card for entry 7238911

Structure parameters

• Formula: C50 H40 Br8 Co2 N10 O12
• Calculated formula: C50 H40 Br8 Co2 N10 O12
• 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: 30.152 ± 0.008 Å
• b: 12.333 ± 0.003 Å
• c: 30.405 ± 0.005 Å
• α: 90°
• β: 97.404 ± 0.005°
• γ: 90°
• Cell volume: 11212 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0815
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No