Information card for entry 4078550

Structure parameters

• Formula: C59 H48 Cl2 F5 Ir O7 Os P4 S
• Calculated formula: C59 H48 Cl2 F5 Ir O7 Os P4 S
• 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: 16.65 ± 0.0005 Å
• b: 18.0975 ± 0.0006 Å
• c: 19.5586 ± 0.0006 Å
• α: 90°
• β: 90.0824 ± 0.0004°
• γ: 90°
• Cell volume: 5893.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No