Information card for entry 4511488

Structure parameters

• Formula: C33 H36 Cu2 I2 N4
• Calculated formula: C33 H28 Cu2 I2 N4
• Title of publication: 1D Tubular Chains and 3D Polycatenane Frameworks Constructed with Cu2X2Dimers (X = Br-, I-, CN-) and Flexible Dipyridyl Spacers
• Authors of publication: Hu, Sheng; Zhou, Ai-Ju; Zhang, Yue-Hua; Ding, Shu; Tong, Ming-Liang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 11
• Pages of publication: 2543
• a: 16.072 ± 0.002 Å
• b: 13.1 ± 0.002 Å
• c: 8.4752 ± 0.0013 Å
• α: 90°
• β: 94.335 ± 0.003°
• γ: 90°
• Cell volume: 1779.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No