Information card for entry 4063869

Structure parameters

• Formula: C61 H54 B F4 Ir O7 Os P4
• Calculated formula: C61 H54 B F4 Ir O7 Os P4
• Title of publication: Alkyne/Methylene Coupling at Adjacent Iridium/Osmium Centers: Facile Carbon−Carbon and Carbon−Oxygen Bond Formation
• Authors of publication: MacDougall, Tiffany J.; Llamazares, Angela; Kuhnert, Oliver; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 5
• Pages of publication: 952
• a: 11.3495 ± 0.0007 Å
• b: 13.854 ± 0.0009 Å
• c: 19.5589 ± 0.0012 Å
• α: 97.5953 ± 0.0007°
• β: 90.3465 ± 0.0007°
• γ: 111.657 ± 0.0007°
• Cell volume: 2828.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No