Information card for entry 7201639

Structure parameters

• Formula: C50 H48 Mn4 N8 O22
• Calculated formula: C50 H48 Mn4 N8 O22
• 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: 24.995 ± 0.006 Å
• b: 8.6663 ± 0.0019 Å
• c: 17.347 ± 0.004 Å
• α: 90°
• β: 133.949 ± 0.017°
• γ: 90°
• Cell volume: 2705.3 ± 1.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No