Information card for entry 4101888

Structure parameters

• Formula: C19 H23 B F3 N5 O3 Ru S
• Calculated formula: C19 H23 B F3 N5 O3 Ru S
• Title of publication: Thermochemistry and Molecular Structure of a Remarkable Agostic Interaction in a Heterobifunctional Ruthenium-Boron Complex
• Authors of publication: Brian L. Conley; Travis J. Williams
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 1764 - 1765
• a: 8.055 ± 0.016 Å
• b: 9.457 ± 0.018 Å
• c: 15.79 ± 0.03 Å
• α: 96.57 ± 0.04°
• β: 91.22 ± 0.04°
• γ: 95.44 ± 0.03°
• Cell volume: 1189 ± 4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.2026
• Residual factor for significantly intense reflections: 0.0921
• Weighted residual factors for significantly intense reflections: 0.1887
• Weighted residual factors for all reflections included in the refinement: 0.2468
• 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: Yes
• Has Fobs: No