Information card for entry 1565581

Structure parameters

• Formula: C33 H41 B9 Cl3 P2 Ru
• Calculated formula: C33 H41 B9 Cl3 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: 11.0895 ± 0.0003 Å
• b: 18.9868 ± 0.0005 Å
• c: 34.9643 ± 0.001 Å
• α: 90°
• β: 90.0597 ± 0.001°
• γ: 90°
• Cell volume: 7361.9 ± 0.3 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No