Information card for entry 4305401

Structure parameters

• Formula: C66 H75 B1.5 Cl5.5 F6 N4 Ni2 P4 S4
• Calculated formula: C66 H73 B1.5 Cl5.5 F6 N4 Ni2 P4 S4
• Title of publication: Multimetallic Assemblies Using Piperazine-Based Dithiocarbamate Building Blocks
• Authors of publication: James D. E. T. Wilton-Ely; Dina Solanki; Edward R. Knight; Katherine B. Holt; Amber L. Thompson; Graeme Hogarth
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9642 - 9653
• a: 24.5845 ± 0.0013 Å
• b: 24.5845 ± 0.0013 Å
• c: 12.6638 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7654 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.1052
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.1888
• Weighted residual factors for all reflections included in the refinement: 0.2026
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No