Information card for entry 4305967

Structure parameters

• Formula: C162 H222 Cl Co2 K3 O30
• Calculated formula: C162 H168 Cl1.00006 Co2 K3 O30
• Title of publication: A Noncentrosymmetric 3D Coordination Polymer of Metallocalix[4]arene
• Authors of publication: Yu-Juan Liu; Jie-Sheng Huang; Stephen Sin-Yin Chui; Cheng-Hui Li; Jing-Lin Zuo; Nianyong Zhu; Chi-Ming Che
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11514 - 11518
• a: 27.046 ± 0.002 Å
• b: 27.046 ± 0.002 Å
• c: 27.046 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19784 ± 3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 199
• Hermann-Mauguin space group symbol: I 21 3
• Hall space group symbol: I 2b 2c 3
• Residual factor for all reflections: 0.2853
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No