Information card for entry 1565583

Structure parameters

• Formula: C32 H41 B9 Cl P2 Ru
• Calculated formula: C32 H41 B9 Cl P2 Ru
• Title of publication: Synthesis and Catalytic Properties of Novel Ruthenacarboranes Based on nido-[5-Me-7,8-C2B9H10]2− and nido-[5,6-Me2-7,8-C2B9H9]2− Dicarbollide Ligands
• Authors of publication: Grishin, Ivan D.; Zimina, Anastasiya M.; Anufriev, Sergey A.; Knyazeva, Nadezhda A.; Piskunov, Alexander V.; Dolgushin, Fedor M.; Sivaev, Igor B.
• Journal of publication: Catalysts
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 1409
• a: 13.9369 ± 0.0018 Å
• b: 12.4716 ± 0.0016 Å
• c: 20.085 ± 0.003 Å
• α: 90°
• β: 93.786 ± 0.004°
• γ: 90°
• Cell volume: 3483.5 ± 0.8 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: 0.0715
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No