Information card for entry 4325872

Structure parameters

• Formula: C30 H35 B9 Cl P2 Ru
• Calculated formula: C30 H35 B9 Cl P2 Ru
• SMILES: [Ru]123456(Cl)[P]7(CCCC[P]1(c1ccccc1)c1ccccc1)c1c([B]89%106[BH]6%114[CH]4%122[CH]2%133[BH]3%14%12[BH]%1264[BH]49%11[BH]63%12[BH]3%13%14[B]582([BH]%10463)c2c7cccc2)cccc1
• Title of publication: Carborane Complexes of Ruthenium(III): Studies on Thermal Reaction Chemistry and the Catalyst Design for Atom Transfer Radical Polymerization of Methyl Methacrylate
• Authors of publication: Ivan D. Grishin; Dmitrii I. D'yachihin; Alexander V. Piskunov; Fedor M. Dolgushin; Alexander F. Smol'yakov; Mikhail M. Il'in; Vadim A. Davankov; Igor T. Chizhevsky; Dmitry F. Grishin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7574 - 7585
• a: 17.994 ± 0.0011 Å
• b: 18.5256 ± 0.0011 Å
• c: 36.676 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12225.9 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No