Information card for entry 4506944

Structure parameters

• Formula: C30 H27 Cu2 N5 O9
• Calculated formula: C30 H26 Cu2 N5 O9
• Title of publication: Redox Reaction Induced Structural Transformation among Three Copper Coordination Polymers
• Authors of publication: Liu, Juan; Tan, Yan-Xi; Zhang, Jian
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 5164
• a: 29.597 ± 0.002 Å
• b: 12.3396 ± 0.0007 Å
• c: 8.1299 ± 0.0004 Å
• α: 90°
• β: 94.17 ± 0.005°
• γ: 90°
• Cell volume: 2961.3 ± 0.3 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: 0.1035
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No