Information card for entry 1562143

Structure parameters

• Formula: C18 H26 Cd N6 O7
• Calculated formula: C18 H26 Cd N6 O7
• SMILES: [Cd]1234([n]5ccccc5C[NH]1[C@@H]1CCCC[C@H]1[NH]2Cc1cccc[n]31)([O]=N(=O)O4)[OH2].N(=O)(=O)[O-]
• Title of publication: Five chiral Cd(II) complexes with dual chiral components: Effect of positional isomerism, luminescence and SHG response
• Authors of publication: Cheng, Lin; Wang, Jun; Yu, Hai-Yan; Zhang, Xiu-Ying; Gou, Shao-Hua; Fang, Lei
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 221
• Pages of publication: 85 - 94
• a: 9.7811 ± 0.0015 Å
• b: 13.126 ± 0.002 Å
• c: 17.998 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2310.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No