Information card for entry 4501596

Structure parameters

• Formula: C40 H43 Cd3 N8 O26.5 S2
• Calculated formula: C40 H38 Cd3 N8 O26.5 S2
• Title of publication: Supramolecular Coordination Complexes with 5-Sulfoisophthalic Acid and 2,5-Bipyridyl-1,3,4-Oxadiazole: Specific Sensitivity to Acidity for Cd(II) Species
• Authors of publication: Li, Cheng-Peng; Yu, Qian; Chen, Jing; Du, Miao
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 2650
• a: 8.117 ± 0.0009 Å
• b: 10.0984 ± 0.0011 Å
• c: 17.2334 ± 0.0018 Å
• α: 85 ± 0.001°
• β: 85.161 ± 0.001°
• γ: 70.801 ± 0.001°
• Cell volume: 1326.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No