Information card for entry 4322558

Structure parameters

• Formula: C54 H68 Cu3 N12 O13
• Calculated formula: C54 H66 Cu3 N12 O13
• Title of publication: Self-Assembly of the First Copper(II) Infinite 2D Network with Large Cavities Formed between the Two Adjacent Layers
• Authors of publication: Hong-Ke Liu; Wei-Yin Sun; Wen-Xia Tang; Tetsuo Yamamoto; Norikazu Ueyama
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 6313 - 6316
• a: 15.539 ± 0.002 Å
• b: 15.539 ± 0.002 Å
• c: 21.149 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4422.5 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1225
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections: 0.1576
• Weighted residual factors for significantly intense reflections: 0.1238
• Goodness-of-fit parameter for all reflections: 1.043
• Goodness-of-fit parameter for significantly intense reflections: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No