Information card for entry 7238915

Structure parameters

• Formula: C39 H70 Br12 Co3 N15 O20
• Calculated formula: C39 H54 Br12 Co3 N15 O20
• 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: 18.519 ± 0.003 Å
• b: 14.082 ± 0.003 Å
• c: 26.628 ± 0.004 Å
• α: 90°
• β: 91.79 ± 0.003°
• γ: 90°
• Cell volume: 6941 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No