Information card for entry 4506315

Structure parameters

• Formula: C20 H24 Cu1.5 N O9
• Calculated formula: C20 H24 Cu1.5 N O9
• Title of publication: Solvent-Dependent Assemblies of Trinuclear Copper Cluster into Variable Frameworks Based on Mixed Ligands of Polyalcohol Amines and Organic Carboxylates
• Authors of publication: Xu, Guohai; He, Xiyun; Lv, Jianyi; Zhou, Zhonggao; Du, Ziyi; Xie, Yongrong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 3619
• a: 12.317 ± 0.005 Å
• b: 8.541 ± 0.005 Å
• c: 20.421 ± 0.005 Å
• α: 90 ± 0.005°
• β: 106.192 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2063.1 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1027
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No