Information card for entry 7201640

Structure parameters

• Formula: C44 H39 Mn3 N2 O23
• Calculated formula: C44 H39 Mn3 N2 O23
• Title of publication: Three coordination polymers with helical chains based on methylenediisophthalic acid (H4MDIP)
• Authors of publication: Duan, Xianying; Cheng, Xian; Lin, Jianguo; Zang, Shuangquan; Li, Yizhi; Zhu, Chengjian; Meng, Qingjin
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 706
• a: 11.4159 ± 0.0015 Å
• b: 15.596 ± 0.002 Å
• c: 28.849 ± 0.004 Å
• α: 90°
• β: 98.997 ± 0.002°
• γ: 90°
• Cell volume: 5073.1 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1134
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No