Information card for entry 4081336

Structure parameters

• Formula: C40 H73 B P2 Ru S
• Calculated formula: C40 H73 B P2 Ru S
• SMILES: c1(cccs1)[B]12[RuH2]([P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)([P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)([H]1)[H]2
• Title of publication: Monosubstituted Borane Ruthenium Complexes RuH2(η2:η2-H2BR)(PR′3)2: A General Approach to the Geminal Bis(σ-B‒H) Coordination Mode
• Authors of publication: Gloaguen, Yann; Bénac-Lestrille, Gaëtan; Vendier, Laure; Helmstedt, Ulrike; Clot, Eric; Alcaraz, Gilles; Sabo-Etienne, Sylviane
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 17
• Pages of publication: 4868
• a: 9.8219 ± 0.0003 Å
• b: 16.3983 ± 0.0004 Å
• c: 24.5714 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3957.53 ± 0.19 ų
• Cell temperature: 108 K
• Ambient diffraction temperature: 108 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No