Information card for entry 4082944

Structure parameters

• Formula: C76 H72 Co3 N6 O15
• Calculated formula: C76 H62 Co3 N6 O14.998
• Title of publication: Isolation and Characterization of a Trinuclear Cobalt Complex Containing Trigonal-Prismatic Cobalt in Secondary Alcohol Aerobic Oxidation
• Authors of publication: Karthikeyan, I.; Alamsetti, S. K.; Sekar, G.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1665
• a: 29.163 ± 0.002 Å
• b: 17.1312 ± 0.0012 Å
• c: 18.0064 ± 0.0013 Å
• α: 90°
• β: 122.096 ± 0.002°
• γ: 90°
• Cell volume: 7621 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1086
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.2275
• Weighted residual factors for all reflections included in the refinement: 0.2604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No