Information card for entry 7212194

Structure parameters

• Chemical name: Mn(M4)(dmf)]-1/2(DMF)
• Formula: C18.5 H18.5 Mn N3.5 O6.5
• Calculated formula: C18.5 H18.5 Mn N3.5 O6.5
• Title of publication: Metal‒organic frameworks with pyridyl- and carboxylate-containing ligands: syntheses, structures and properties
• Authors of publication: Chen, Man-Sheng; Bai, Zheng-Shuai; Okamura, Taka-aki; Su, Zhi; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 1935
• a: 18.733 ± 0.002 Å
• b: 10.2319 ± 0.0014 Å
• c: 20.283 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3887.7 ± 0.9 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No