Information card for entry 4327462

Structure parameters

• Formula: C18 H25 Cl N6 Ni O4 S2
• Calculated formula: C18 H25 Cl N6 Ni O4 S2
• Title of publication: Mixed-Spin Binuclear Nickel(II) Complexes in Unsymmetrical Ligand Environments and Related Mononuclear Compounds: Electronic and Molecular Structures in Solution and in the Solid State
• Authors of publication: Dipesh Ghosh; Suman Mukhopadhyay; Satyabrata Samanta; Ki-Young Choi; Akira Endo; Muktimoy Chaudhury
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7189 - 7199
• a: 8.6381 ± 0.001 Å
• b: 9.675 ± 0.0012 Å
• c: 15.0295 ± 0.0014 Å
• α: 106.324 ± 0.009°
• β: 102.031 ± 0.007°
• γ: 98.174 ± 0.011°
• Cell volume: 1151.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No