Information card for entry 7030236

Structure parameters

• Formula: C96 H58 Cu4 N8 O17
• Calculated formula: C96 H56 Cu4 N8 O17
• Title of publication: Syntheses, structures and physical properties of transition metal-organic frameworks assembled from trigonal heterofunctional ligands.
• Authors of publication: Song, Shu-Yan; Song, Xue-Zhi; Zhao, Shu-Na; Qin, Chao; Su, Sheng-Qun; Zhu, Min; Hao, Zhao-Min; Zhang, Hong-Jie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 34
• Pages of publication: 10412 - 10421
• a: 26.2171 ± 0.0019 Å
• b: 13.4833 ± 0.0009 Å
• c: 22.4964 ± 0.0016 Å
• α: 90°
• β: 108.184 ± 0.001°
• γ: 90°
• Cell volume: 7555.2 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1236
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.2038
• Weighted residual factors for all reflections included in the refinement: 0.237
• 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