Information card for entry 4321470

Structure parameters

• Chemical name: [Cu~2~(rac-9)I~2~(CH~3~CN)~2~]^2+^2I^-^
• Formula: C32 H62 Cu2 I4 N6 S4
• Calculated formula: C32 H62 Cu2 I4 N6 S4
• Title of publication: Copper(II) and Nickel(II) Complexes of Binucleating Macrocyclic Bis(disulfide)tetramine Ligands
• Authors of publication: Stephen Fox; Robert T. Stibrany; Joseph A. Potenza; Spencer Knapp; Harvey J. Schugar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4950 - 4961
• a: 10.085 ± 0.002 Å
• b: 12.325 ± 0.002 Å
• c: 10.091 ± 0.002 Å
• α: 104.81 ± 0.03°
• β: 98.72 ± 0.03°
• γ: 104.59 ± 0.03°
• Cell volume: 1141.8 ± 0.5 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.1947
• Weighted residual factors for all reflections included in the refinement: 0.2022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No