Information card for entry 7214919

Structure parameters

• Formula: C30 H30 Ca2 Cl4 N20 O11
• Calculated formula: C30 H30 Ca2 Cl3.9985 N20 O11
• Title of publication: p-Hydroxybenzoic acid-assisted homochiral 1D-helical coordination polymers from calcium cations and cucurbit[5]uril
• Authors of publication: Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 23
• Pages of publication: 8049
• a: 32.7209 ± 0.0015 Å
• b: 19.4444 ± 0.0009 Å
• c: 32.739 ± 0.002 Å
• α: 90°
• β: 115.904 ± 0.002°
• γ: 90°
• Cell volume: 18737 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1753
• Residual factor for significantly intense reflections: 0.1015
• Weighted residual factors for significantly intense reflections: 0.2591
• Weighted residual factors for all reflections included in the refinement: 0.2911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No