Information card for entry 4304307

Structure parameters

• Formula: C54 H49 Cl2 Cu2 N9 P2 Ru S2
• Calculated formula: C54 H49 Cl2 Cu2 N9 P2 Ru S2
• SMILES: [Ru]12(SC3=[N]1[N]1[Cu](Cl)([n]4ccccc4C=1)N3C)(SC1=[N]2[N]2[Cu](N1C)(Cl)[n]1ccccc1C=2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.N#CC
• 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: 9.5925 ± 0.0007 Å
• b: 13.2815 ± 0.001 Å
• c: 22.5555 ± 0.0017 Å
• α: 76.554 ± 0.001°
• β: 86.544 ± 0.001°
• γ: 72.592 ± 0.001°
• Cell volume: 2666.7 ± 0.3 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: 0.03
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No