Information card for entry 4503766

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: 27.012 ± 0.002 Å
• b: 27.012 ± 0.002 Å
• c: 13.3298 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8423 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No