Information card for entry 7210627

Structure parameters

• Formula: C19 H18 Mn N2 O5
• Calculated formula: C19.95 H19.85 Mn N2 O4.99
• 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: 7.409 ± 0.005 Å
• b: 9.176 ± 0.005 Å
• c: 15.771 ± 0.005 Å
• α: 96.032 ± 0.005°
• β: 94.122 ± 0.005°
• γ: 109.011 ± 0.005°
• Cell volume: 1001.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0715
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.2098
• Weighted residual factors for all reflections included in the refinement: 0.2193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No