Information card for entry 4315895

Structure parameters

• Formula: C34 H44 Br2 Cd2 N4 O3
• Calculated formula: C34 H44 Br2 Cd2 N4 O3
• SMILES: [Cd]123(Br)[N]4=Cc5c6c(C=[N]7[Cd]8(Br)([N](=Cc9c(c(cc(c9)C)C=[N]1[C@]1(C([C@@H]4CC1)(C)C)C)[O]28)[C@]1(C([C@@H]7CC1)(C)C)C)([O]36)[OH2])cc(c5)C
• 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: 9.385 ± 0.003 Å
• b: 16.564 ± 0.005 Å
• c: 11.729 ± 0.004 Å
• α: 90°
• β: 105.117 ± 0.005°
• γ: 90°
• Cell volume: 1760.2 ± 1 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: 0.1592
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No