Information card for entry 4503737

Structure parameters

• Formula: C47 H36 Cd N4 O9
• Calculated formula: C47 H36 Cd N4 O9
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Cd]14([OH2])([n]2cccc3ccc4ccc[n]1c4c23)[OH2].[O-]C(=O)c1c(O)c(c2c(c1)cccc2)Cc1c(O)c(cc2ccccc12)C(=O)[O-].O
• Title of publication: Anion-Dependent Crystallization of Four Supramolecular Cadmium Complexes: Structures and Property Studies
• Authors of publication: Shi, Qian; Sun, Yunti; Sheng, Lizi; Ma, Kefang; Hu, Maolin; Hu, Xingen; Huang, Shaoming
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 9
• Pages of publication: 3401
• a: 15.732 ± 0.002 Å
• b: 23.025 ± 0.003 Å
• c: 11.5631 ± 0.0015 Å
• α: 90°
• β: 115.547 ± 0.002°
• γ: 90°
• Cell volume: 3779 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No