Information card for entry 4508602

Structure parameters

• Formula: C52 H32 Cu4 N4 O18
• Calculated formula: C52.12 Cu4.02 N3.96 O19.98
• Title of publication: Perfect Statistical Symmetrization of a Heterofunctional Ligand Induced by Pseudo-Copper Trimer in an Expanded Matrix of HKUST-1
• Authors of publication: Lin, Qipu; Bu, Xianhui; Feng, Pingyun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 12
• Pages of publication: 5175
• a: 29.9759 ± 0.0001 Å
• b: 29.9759 ± 0.0001 Å
• c: 29.9759 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 26935 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.2275
• Weighted residual factors for all reflections included in the refinement: 0.2504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No