Information card for entry 4505464

Structure parameters

• Formula: C23 H19 Cu2 N7 O14
• Calculated formula: C23 H19 Cu2 N7 O14
• Title of publication: Structural Transformation from a Discrete CuII4Cluster to Two Extended CuII4+ CuII1Chain-Based Three-Dimensional Frameworks by Changing the Spacer Functionality: Synthesis, Crystal Structures, and Magnetic Properties
• Authors of publication: Yang, En-Cui; Ding, Bo; Liu, Zhong-Yi; Yang, You-Li; Zhao, Xiao-Jun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 1185
• a: 8.7588 ± 0.0007 Å
• b: 26.607 ± 0.002 Å
• c: 14.4393 ± 0.0009 Å
• α: 90°
• β: 119.085 ± 0.003°
• γ: 90°
• Cell volume: 2940.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0433
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No