Information card for entry 7231385

Structure parameters

• Chemical name: tetra(isonicotinato)-(acetato)-di(aqua)-(?3-hydroxo)-tri-manganese(ii)
• Formula: C26 H22 Mn3 N4 O12
• Calculated formula: C26 H22 Mn3 N4 O12
• 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: 12.402 Å
• b: 14.734 Å
• c: 20.85 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3809.94 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No