Information card for entry 1562147

Structure parameters

• Formula: C36 H52 Cd2 N12 O14
• Calculated formula: C36 H52 Cd2 N12 O14
• SMILES: [Cd]123([n]4ccccc4C[NH]1[C@@H]1CCCC[C@H]1[NH]2Cc1cc[n]([Cd]24([n]5ccccc5C[NH]2[C@@H]2CCCC[C@H]2[NH]4Cc2cc[n]3cc2)(ON(=O)=O)ON(=O)=O)cc1)(ON(=O)=O)[OH2].N(=O)(=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: 9.873 ± 0.009 Å
• b: 13.949 ± 0.014 Å
• c: 15.792 ± 0.015 Å
• α: 90°
• β: 95.248 ± 0.013°
• γ: 90°
• Cell volume: 2166 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No