Information card for entry 7201926

Structure parameters

• Formula: C32 H36 Cd Cl2 N6 O12
• Calculated formula: C32 H28 Cd Cl2 N6 O12
• Title of publication: The interplay of coordinative and hydrogen-bonding in directing the [M(4,4′-bpy)2(H2O)2] square-grid networks: formation of 3D porous framework [Cd(4,4′-bpy)2(H2O)2](ClO4)2(4,4′-bpy)(CH3OH)2
• Authors of publication: Jiang, Ji-Jun; Liu, Yong-Ru; Yang, Rui; Pan, Mei; Cao, Rong; Su, Cheng-Yong
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 1147
• a: 16.514 ± 0.0004 Å
• b: 11.7929 ± 0.0002 Å
• c: 20.8057 ± 0.0004 Å
• α: 90°
• β: 102.894 ± 0.002°
• γ: 90°
• Cell volume: 3949.7 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No