Information card for entry 4512152

Structure parameters

• Formula: C25 H26 Cd2 N10 O13
• Calculated formula: C25 H26 Cd2 N10 O13
• SMILES: [Cd]1234(ON(=O)=O)(ON(=[O]1)=O)[n]1c([C@H]5[N]4(Cc4[n]2cccc4)[C@H]([NH]2[Cd]4(ON(=O)=O)(ON(=[O])=[O]4)([OH]C)[n]4ccccc4[C@H]52)c2[n]3cccc2)cccc1.[Cd]1234(ON(=O)=O)(ON(=[O]1)=O)[n]1c([C@@H]5[N]4(Cc4[n]2cccc4)[C@@H]([NH]2[Cd]4(ON(=O)=O)(ON(=[O])=[O]4)([OH]C)[n]4ccccc4[C@@H]52)c2[n]3cccc2)cccc1
• Title of publication: CdII-Mediated Efficient Synthesis and Complexation of Asymmetric Tetra-(2-pyridine)-Substituted Imidazolidine
• Authors of publication: Ou, Yan-Jun; Zheng, Zhi-Peng; Hong, Xu-Jia; Wan, Lin-Tao; Wei, Lei-Ming; Lin, Xiao-Ming; Cai, Yue-Peng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 5339
• a: 9.6448 ± 0.001 Å
• b: 20.427 ± 0.002 Å
• c: 32.039 ± 0.003 Å
• α: 90°
• β: 90.806 ± 0.002°
• γ: 90°
• Cell volume: 6311.5 ± 1.1 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: 0.0476
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No