Information card for entry 7047946

Structure parameters

• Formula: C52 H58 Co F6 N6 O2 P
• Calculated formula: C52 H58 Co F5.99999 N6 O2 P
• Title of publication: Six-coordinate [CoIII(L)2]z (z = 1‒, 0, 1+) complexes of an azo-appended o-aminophenolate in amidate(2‒) and iminosemiquinonate π-radical (1‒) redox-levels: existence of valence-tautomerism
• Authors of publication: Rajput, Amit; Sharma, Anuj K.; Barman, Suman K.; Lloret, Francesc; Mukherjee, Rabi
• Journal of publication: Dalton Transactions
• Year of publication: 2018
• a: 31.315 ± 0.003 Å
• b: 31.315 ± 0.003 Å
• c: 29.732 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 25250 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.1985
• Weighted residual factors for all reflections included in the refinement: 0.2197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0419
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No