Information card for entry 7244629

Structure parameters

• Chemical name: bis[Diaqua(/u-/k^2,1^-3,5-dinitrobenzoate)bis(/u^2^-/k^1,1^-3,5-dinitrobenzoate))cobalt(II)]cobalt(II) acetone tetrasolvate
• Formula: C66 H74 Co3 N12 O48
• Calculated formula: C66 H74 Co3 N12 O48
• Title of publication: Influence of the Lewis basicity hardness of crystallization solvents on the coordination sphere of the complex [Co(3,5-dinitrobenzoate-O,O’)2]: Crystallographic and Theoretical Analysis
• Authors of publication: Fonseca, Daniela; Perez, Adres Felipe; Cobo Domingo, Justo; Zapata Rivera, Jhon Enrique; Hurtado Belalcazar, John; Macías, Mario A.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 12.7882 ± 0.001 Å
• b: 13.2551 ± 0.001 Å
• c: 14.4372 ± 0.0011 Å
• α: 67.94 ± 0.002°
• β: 79.147 ± 0.003°
• γ: 69.028 ± 0.003°
• Cell volume: 2113.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0988
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No