Information card for entry 4315901

Structure parameters

• Formula: C48 H68 Cl4 N8 Ni3 O16
• Calculated formula: C48 H68 Cl4 N8 Ni3 O16
• SMILES: [Ni]12345[Cl]6[Ni]789([N](=Cc%10c(c(C=[O]4)cc(c%10)Cl)[O]58)[C@@H]4C([C@](CC4)(C)[NH2]7)(C)C)[O]=Cc4c5c(cc(c4)Cl)C=[N]4[Ni]76([NH2][C@]6(C([C@@H]4CC6)(C)C)C)([O]3c3c(cc(cc3C=[N]1[C@@H]1C([C@](CC1)(C)[NH2]2)(C)C)Cl)C=[O]7)[O]95.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O.[Ni]12345[Cl]6[Ni]789([N](=Cc%10c(c(C=[O]4)cc(c%10)Cl)[O]58)[C@H]4C([C@@](CC4)(C)[NH2]7)(C)C)[O]=Cc4c5c(cc(c4)Cl)C=[N]4[Ni]76([NH2][C@@]6(C([C@H]4CC6)(C)C)C)([O]3c3c(cc(cc3C=[N]1[C@H]1C([C@@](CC1)(C)[NH2]2)(C)C)Cl)C=[O]7)[O]95.N(=O)(=O)[O-].N(=O)(=O)[O-].O.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: 10.096 ± 0.003 Å
• b: 14.177 ± 0.004 Å
• c: 20.94 ± 0.006 Å
• α: 95.563 ± 0.005°
• β: 99.788 ± 0.005°
• γ: 94.268 ± 0.005°
• Cell volume: 2927 ± 1.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1174
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No