Information card for entry 7244630

Structure parameters

• Chemical name: diaquabis(3,5-dinitrobenzoato)-bis[(methanesulfinyl)methane]-cobalt(II)
• Formula: C18 H22 Co N4 O16 S2
• Calculated formula: C18 H22 Co N4 O16 S2
• 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: 10.3871 ± 0.0009 Å
• b: 5.2909 ± 0.0004 Å
• c: 22.6353 ± 0.0017 Å
• α: 90°
• β: 91.788 ± 0.003°
• γ: 90°
• Cell volume: 1243.36 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No