Information card for entry 4108172

Structure parameters

• Common name: TJHI82Ax1
• Chemical name: TJHI82Ax1
• Formula: C60 H112 B2 Ir2 O9 P4
• Calculated formula: C60 H112 B2 Ir2 O9 P4
• 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: 41.2238 ± 0.0002 Å
• b: 11.1233 ± 0.0002 Å
• c: 14.6122 ± 0.0003 Å
• α: 90°
• β: 90.3735 ± 0.0006°
• γ: 90°
• Cell volume: 6700.2 ± 0.19 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No