Information card for entry 4304308

Structure parameters

• Formula: C53 H47.5 Br2 Cu2 N8.5 P2 Ru S2
• Calculated formula: C53 H47.5 Br2 Cu2 N8.5 P2 Ru S2
• Title of publication: Synthesis of CuII-RuII-CuII Trinuclear Complexes via Redox Reaction of Copper(I) Across Thiosemicarbazones Coordinated to Ruthenium(II)
• Authors of publication: Tarlok S. Lobana; Gagandeep Bawa; Ray J. Butcher
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1488 - 1495
• a: 9.486 ± 0.002 Å
• b: 13.286 ± 0.003 Å
• c: 22.641 ± 0.005 Å
• α: 76.918 ± 0.003°
• β: 87.944 ± 0.003°
• γ: 73.013 ± 0.003°
• Cell volume: 2656.7 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No