Information card for entry 2021140

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[(3,5-di-<i>tert</i>-butylbenzene-1,2-diolato)(1,5-di-<i>tert</i>-butyl-4-oxocyclohexa-2,5-dien-1-yl-3-olato)cobalt(III)]-μ-1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane]‒ethanol‒water (1/1/5)]
• Formula: C56 H76 Co N4 O9
• Calculated formula: C56 H70 Co N4 O6
• Title of publication: Structural investigation of one- and two-dimensional coordination polymers based on cobalt‒bis(dioxolene) units and 1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane
• Authors of publication: Drath, Olga; Gable, Robert W.; Boskovic, Colette
• Journal of publication: Acta Crystallographica Section C Structural Chemistry
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 6
• a: 10.168 ± 0.002 Å
• b: 16.321 ± 0.003 Å
• c: 18.515 ± 0.004 Å
• α: 75.33 ± 0.03°
• β: 82.77 ± 0.03°
• γ: 78.77 ± 0.03°
• Cell volume: 2906 ± 1.1 ų
• Cell temperature: 315 K
• Ambient diffraction temperature: 315 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.152
• Residual factor for significantly intense reflections: 0.0998
• Weighted residual factors for significantly intense reflections: 0.2861
• Weighted residual factors for all reflections included in the refinement: 0.3297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes