Information card for entry 7047945

Structure parameters

• Formula: C64 H71 Co2 N7 O2
• Calculated formula: C64 H71 Co2 N7 O2
• 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: 22.6297 ± 0.0014 Å
• b: 14.1505 ± 0.0009 Å
• c: 17.512 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5607.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No