Information card for entry 4108171

Structure parameters

• Formula: C22 H44 B Ir O2 P2
• Calculated formula: C22 H44 B Ir O2 P2
• Title of publication: σ-Borane Complexes of Iridium: Synthesis and Structural Characterization
• Authors of publication: Travis J. Hebden; Melanie C. Denney; Vincent Pons; Paula M. B. Piccoli; Thomas F. Koetzle; Arthur J. Schultz; Werner Kaminsky; Karen I. Goldberg; D. Michael Heinekey
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 10812 - 10820
• a: 8.262 ± 0.005 Å
• b: 12.264 ± 0.005 Å
• c: 13.394 ± 0.004 Å
• α: 100.215 ± 0.03°
• β: 95.23 ± 0.04°
• γ: 104.52 ± 0.04°
• Cell volume: 1279.8 ± 1.1 ų
• Cell temperature: 30 ± 1 K
• Ambient diffraction temperature: 30 ± 1 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: 0.197
• Residual factor for significantly intense reflections: 0.186
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections: 2.54
• Goodness-of-fit parameter for all reflections included in the refinement: 2.54
• Method of determination: powder diffraction
• Diffraction radiation probe: neutron
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes