Information card for entry 4304310

Structure parameters

• Formula: C54 H50 Br2 Cu2 N8 P2 Ru S2
• Calculated formula: C54 H50 Br2.0043 Cu2 N8 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: 12.886 ± 0.002 Å
• b: 15.5562 ± 0.0008 Å
• c: 16.21 ± 0.0019 Å
• α: 114.636 ± 0.008°
• β: 96.241 ± 0.011°
• γ: 99.009 ± 0.008°
• Cell volume: 2861.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1971
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No