Information card for entry 4503765

Structure parameters

• Formula: C26 H24 Cd N4 O2 S2
• Calculated formula: C26 H18 Cd N4 O2 S2
• Title of publication: One-Pot Synthesis of Supramolecular Isomers with Two-Dimensional 44Grid and Three-Dimensional 64·82NbO Frameworks: Solvothermal in Situ Ligand Formation and Conformational Isomers Separation
• Authors of publication: Han, Lei; Zhao, Wenna; Zhou, Yan; Li, Xing; Pan, Jianguo
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 3504
• a: 10.322 ± 0.003 Å
• b: 9.907 ± 0.002 Å
• c: 12.752 ± 0.003 Å
• α: 90°
• β: 105.846 ± 0.004°
• γ: 90°
• Cell volume: 1254.5 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0747
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No