Information card for entry 1557047

Structure parameters

• Formula: C41 H38 Cd Cl3 N8 O14
• Calculated formula: C41 Cd Cl3 N8 O14
• Title of publication: A Two-Dimensional Square Network Inclusion Compound Incorporating Guest Molecules Through Both Hydrogen Bonding and Nonionic Electrostatic Attraction. Crystal Structure of [Cd(4,4'-bpy)2(H2O)2]-(ClO4)2.1.5(4,4'-bpy).(C6H4NO3Cl).H2O
• Authors of publication: Liu, Cai-Ming; Xiong, Ren-Gen; You, Xiao-Zeng; Chen, Wei
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1998
• Journal volume: 52
• Pages of publication: 1353 - 1358
• a: 11.7365 ± 0.0008 Å
• b: 11.7808 ± 0.0007 Å
• c: 16.851 ± 0.001 Å
• α: 90°
• β: 92.386 ± 0.006°
• γ: 90°
• Cell volume: 2327.9 ± 0.3 ų
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 6
• Space group number: 3
• Hermann-Mauguin space group symbol: P 1 2 1
• Hall space group symbol: P 2y
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No