Information card for entry 4315900

Structure parameters

• Formula: C38 H42 Cl2 Mn2 N8 O2 S2
• Calculated formula: C38 H42 Cl2 Mn2 N8 O2 S2
• SMILES: [Mn]123([N]4=Cc5c6c(cc(c5)Cl)C=[N]5[Mn]7([N]([C@@H]8C([C@]5(CC8)C)(C)C)=Cc5c(c(cc(c5)Cl)C=[N]1[C@@H]1C([C@]4(CC1)C)(C)C)[O]37)(N=C=S)[O]26)N=C=S.CC#N.CC#N
• 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: 10.4354 ± 0.0017 Å
• b: 13.368 ± 0.002 Å
• c: 14.919 ± 0.002 Å
• α: 90°
• β: 95.824 ± 0.002°
• γ: 90°
• Cell volume: 2070.5 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 0.87
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No