Information card for entry 4066505

Structure parameters

• Common name: Compound A
• Formula: C145 H155.5 B2 F49.5 Ir2 P4
• Calculated formula: C145 H155.5 B2 F49.5 Ir2 P4
• 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: 13.051 ± 0.0001 Å
• b: 19.5769 ± 0.0002 Å
• c: 28.2597 ± 0.0003 Å
• α: 90.4772 ± 0.0004°
• β: 96.9176 ± 0.0004°
• γ: 99.64 ± 0.0004°
• Cell volume: 7063.53 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0962
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No