Information card for entry 4078549

Structure parameters

• Formula: C58 H53 B F4 Ir O3.5 Os P4
• Calculated formula: C58 H53 B F4 Ir O3.5 Os P4
• Title of publication: Diverse Coordination Modes and Transformations of Allenes at Adjacent Iridium/Osmium Centers
• Authors of publication: MacDougall, Tiffany J.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 12
• Pages of publication: 4516
• a: 12.7514 ± 0.0005 Å
• b: 13.2551 ± 0.0005 Å
• c: 17.0522 ± 0.0007 Å
• α: 79.0395 ± 0.0005°
• β: 78.3979 ± 0.0004°
• γ: 68.9294 ± 0.0004°
• Cell volume: 2612.54 ± 0.18 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: 0.0434
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No