Information card for entry 7210628

Structure parameters

• Formula: C74 H58 Mn5 N2 O22
• Calculated formula: C74 H58 Mn5 N2 O22
• Title of publication: Formation of two drastically different MOFs based on Mn(ii)‒benzoate and pyrazine with a change in seasonal temperature: structural analysis and magnetic study
• Authors of publication: Kar, Paramita; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 400
• a: 15.997 ± 0.005 Å
• b: 15.389 ± 0.005 Å
• c: 28.622 ± 0.005 Å
• α: 90 ± 0.005°
• β: 95.335 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 7016 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No