Information card for entry 4304309

Structure parameters

• Formula: C54 H50 Cl2 Cu2 N8 P2 Ru S2
• Calculated formula: C54 H50 Cl2.0043 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: 12.9527 ± 0.001 Å
• b: 15.3932 ± 0.0014 Å
• c: 16.193 ± 0.0014 Å
• α: 114.585 ± 0.008°
• β: 96.333 ± 0.007°
• γ: 99.163 ± 0.007°
• Cell volume: 2841.9 ± 0.5 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: 0.1345
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No