Information card for entry 4114810

Structure parameters

• Formula: C48 H94 B2 O4 P2 Ru
• Calculated formula: C48 H94 B2 O4 P2 Ru
• SMILES: [RuH2]12([P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)([P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)([B]3(OC(C(O3)(C)C)(C)C)[H]2)[B]2(OC(C(O2)(C)C)(C)C)[H]1
• Title of publication: σ-Borane and Dihydroborate Complexes of Ruthenium
• Authors of publication: Virginia Montiel-Palma; María Lumbierres; Bruno Donnadieu; Sylviane Sabo-Etienne; Bruno Chaudret
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 5624 - 5625
• a: 12.118 ± 0.005 Å
• b: 13.945 ± 0.005 Å
• c: 15.406 ± 0.005 Å
• α: 93.277 ± 0.005°
• β: 102.539 ± 0.005°
• γ: 97.88 ± 0.005°
• Cell volume: 2507.1 ± 1.6 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No