Information card for entry 4081334

Structure parameters

• Formula: C37 H73 B P2 Ru
• Calculated formula: C37 H73 B P2 Ru
• SMILES: C[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: 12.5088 ± 0.0011 Å
• b: 16.8599 ± 0.0015 Å
• c: 18.2807 ± 0.0017 Å
• α: 90°
• β: 106.08 ± 0.005°
• γ: 90°
• Cell volume: 3704.5 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• 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: 0.0657
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No