Information card for entry 4332020

Structure parameters

• Formula: C72 H84 N8 Ni4 O38
• Calculated formula: C72 H84 N8 Ni4 O38
• Title of publication: One Dense and Two Open Chiral Metal−Organic Frameworks: Crystal Structures and Physical Properties
• Authors of publication: Zang, Shuangquan; Su, Yang; Li, Yizhi; Zhu, Huizhen; Meng, Qingjin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 2972 - 2978
• a: 24.444 ± 0.012 Å
• b: 8.242 ± 0.004 Å
• c: 11.259 ± 0.005 Å
• α: 90°
• β: 105.045 ± 0.008°
• γ: 90°
• Cell volume: 2190.6 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No