Information card for entry 4315894

Structure parameters

• Formula: C39 H53 Cd2 Cl2 N5 O9
• Calculated formula: C39 H53 Cd2 Cl2 N5 O9
• SMILES: [Cd]1234([N]5=Cc6c7c(C=[N]8[Cd]9%10([N](=Cc%11c(c(cc(c%11)Cl)C=[N]1[C@@H]1C([C@]5(CC1)C)(C)C)[O]29)[C@@H]1C([C@]8(CC1)C)(C)C)([O]37)[O]=C(C)O%10)cc(c6)Cl)[O]=C(C)O4.CN(C)C=O.O.O
• Title of publication: Dinuclear Cadmium(II), Zinc(II), and Manganese(II), Trinuclear Nickel(II), and Pentanuclear Copper(II) Complexes with Novel Macrocyclic and Acyclic Schiff-Base Ligands Having Enantiopure or Racemic Camphoric Diamine Components
• Authors of publication: Jue-Chao Jiang; Zhao-Lian Chu; Wei Huang; Gang Wang; Xiao-Zeng You
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5897 - 5911
• a: 10.9803 ± 0.0009 Å
• b: 14.8931 ± 0.0012 Å
• c: 14.0487 ± 0.0011 Å
• α: 90°
• β: 93.05 ± 0.001°
• γ: 90°
• Cell volume: 2294.1 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No