Information card for entry 4066506

Structure parameters

• Chemical name: Compound 7 ?
• Formula: C42 H84 B N P2 Ru
• Calculated formula: C42 H84 B N P2 Ru
• SMILES: C(C)(C)N(C(C)C)[B]12[RuH2]([P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)([P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)([H]1)[H]2
• Title of publication: Ruthenium, Rhodium, and Iridium Bis(σ-B−H) Diisopropylaminoborane Complexes†
• Authors of publication: Alcaraz, Gilles; Chaplin, Adrian B.; Stevens, Charlotte J.; Clot, Eric; Vendier, Laure; Weller, Andrew S.; Sabo-Etienne, Sylviane
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5591
• a: 12.2376 ± 0.0004 Å
• b: 12.8156 ± 0.0005 Å
• c: 15.0664 ± 0.0005 Å
• α: 95.134 ± 0.003°
• β: 92.258 ± 0.003°
• γ: 111.936 ± 0.004°
• Cell volume: 2176.24 ± 0.15 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0406
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No