Information card for entry 4315896

Structure parameters

• Formula: C28 H46 Br3 Cd2 N5 O2
• Calculated formula: C28 H46 Br3 Cd2 N5 O2
• SMILES: [Cd]123([Br][Cd]45(Br)[N](=Cc6c(c(cc(c6)C)C=[N]1[C@@H]1C([C@](CC1)(C)[NH2]2)(C)C)[O]35)[C@H]1C([C@@](CC1)(C)[NH2]4)(C)C)Br.C(=O)N(C)C.[Cd]123([Br][Cd]45(Br)[N](=Cc6c(c(cc(c6)C)C=[N]1[C@H]1C([C@@](CC1)(C)[NH2]2)(C)C)[O]35)[C@@H]1C([C@](CC1)(C)[NH2]4)(C)C)Br.C(=O)N(C)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: 38.131 ± 0.008 Å
• b: 8.8737 ± 0.0018 Å
• c: 24.899 ± 0.005 Å
• α: 90°
• β: 119.18 ± 0.03°
• γ: 90°
• Cell volume: 7356 ± 3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• 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: 0.0875
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No