Information card for entry 7231386

Structure parameters

• Chemical name: tetra(isonicotinato)-di(N,N-dimethylacetamide)-(aqua)-(?3-hydroxo)-tri-cobalt(ii)
• Formula: C32 H37 Cl Co3 N6 O16
• Calculated formula: C32 H37 Cl Co3 N6 O16
• Title of publication: Charge control of the formation of two neutral/cationic metal‒organic frameworks based on neutral/cationic triangular clusters and isonicotinic acid: structure, gas adsorption and magnetism
• Authors of publication: Zhou, Lei; Zhou, Baolei; Cui, Zheng; Qin, Bowen; Zhang, Xiaoying; Li, Wenliang; Zhang, Jingping
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 36
• Pages of publication: 5402
• a: 19.582 ± 0.0011 Å
• b: 20.1291 ± 0.0007 Å
• c: 12.0113 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4734.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.2223
• Weighted residual factors for all reflections included in the refinement: 0.2356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No