Information card for entry 2225603

Structure parameters

• Chemical name: {6,6'-Diethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato}(2-ethoxy-6-formylphenolato)cobalt(III)‒ethanol‒water (1/1/1)
• Formula: C34 H45 Co N2 O9
• Calculated formula: C34 H45 Co N2 O9
• Title of publication: {6,6'-Diethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato}(2-ethoxy-6-formylphenolato)cobalt(III)‒ethanol‒water (1/1/1)
• Authors of publication: Kia, Reza; Kargar, Hadi; Zare, Karim; Khan, Islam Ullah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m366 - m367
• a: 13.2827 ± 0.0017 Å
• b: 14.0158 ± 0.0017 Å
• c: 19.602 ± 0.002 Å
• α: 90°
• β: 106.491 ± 0.007°
• γ: 90°
• Cell volume: 3499.1 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1104
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes