Information card for entry 7201267

Structure parameters

• Formula: C22 H22 Mn N2 O4
• Calculated formula: C22 H22 Mn N2 O4
• Title of publication: Substituent effect on the assembly of coordination polymers containing isophthalic acid and its derivatives
• Authors of publication: Zhou, Dong-Sheng; Wang, Fang-Kuo; Yang, Shi-Yao; Xie, Zhao-Xiong; Huang, Rong-Bin
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 2548
• a: 9.8673 ± 0.0003 Å
• b: 15.6848 ± 0.0004 Å
• c: 13.2389 ± 0.0003 Å
• α: 90°
• β: 95.342 ± 0.002°
• γ: 90°
• Cell volume: 2040.04 ± 0.09 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No