Information card for entry 4505983

Structure parameters

• Formula: C48 H48 Cd2 N12 O24
• Calculated formula: C48 H48 Cd2 N12 O24
• SMILES: c1c[n]2[Cd]3([OH]CC)([OH2])([n]4cc(N5C(=O)[C@H]6C7[C@@H]8[C@@H](C(=O)N(c9c[n](ccc9)[Cd]9([n]%10cc(N%11C(=O)[C@@H]%12C%13[C@H]%14[C@H](C(=O)N(c(c2)c1)C%14=O)C(C=C%13)[C@@H]%12C%11=O)ccc%10)([O]=N(=O)O9)(ON(=O)=O)([OH]CC)[OH2])C8=O)C(C=C7)[C@H]6C5=O)ccc4)([O]=N(=O)O3)ON(=O)=O
• Title of publication: Anion Modulated Structural Diversification in the Assembly of Cd(II) Complexes Based on a Balance-like Dipodal Ligand
• Authors of publication: Yu, Zhi-Quan; Pan, Mei; Jiang, Ji-Jun; Liu, Zhi-Min; Su, Cheng-Yong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 2389
• a: 7.3783 ± 0.0017 Å
• b: 13.0129 ± 0.0019 Å
• c: 14.9959 ± 0.0018 Å
• α: 107.94 ± 0.012°
• β: 103.901 ± 0.015°
• γ: 93.989 ± 0.015°
• Cell volume: 1313.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No