Information card for entry 7016600

Structure parameters

• Formula: C44 H38 Mn3 N4 O16
• Calculated formula: C44 H38 Mn3 N4 O16
• Title of publication: Magnetic and thermal properties of three ionothermally synthesized metal-carboxylate frameworks of [M(3)(ip)(4)][EMIm](2) (M = Co, Ni, Mn, H(2)ip = isophthalic acid, EMIm = 1-ethyl-3-methyl imidazolium).
• Authors of publication: Chen, Wen-Xian; Zhuang, Gui-Lin; Zhao, Hai-Xia; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 39
• Pages of publication: 10237 - 10241
• a: 13.092 ± 0.003 Å
• b: 14.49 ± 0.003 Å
• c: 12.64 ± 0.003 Å
• α: 90°
• β: 116.85 ± 0.03°
• γ: 90°
• Cell volume: 2139.3 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No