Information card for entry 4328264

Structure parameters

• Formula: C82 H82 O4 P4 Ru Si2
• Calculated formula: C82 H82 O4 P4 Ru Si2
• SMILES: C(#Cc1c(cc(c(c1)OC)C#C[Si](C)(C)C)OC)[Ru]12([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#Cc1c(cc(c(c1)OC)C#C[Si](C)(C)C)OC)[P](CC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Fully Delocalized (Ethynyl)(vinyl)phenylene Bridged Triruthenium Complexes in up to Five Different Oxidation States
• Authors of publication: Evelyn Wuttke; Florian Pevny; Yves-Marie Hervault; Lucie Norel; Malte Drescher; Rainer F. Winter; Stéphane Rigaut
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1902 - 1915
• a: 11.722 ± 0.002 Å
• b: 24.811 ± 0.005 Å
• c: 12.343 ± 0.003 Å
• α: 90°
• β: 93.12 ± 0.03°
• γ: 90°
• Cell volume: 3584.4 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No