Information card for entry 8102739

Structure parameters

• Chemical name: μ-(cis-1,3-bis-(di-tert-butylphosphinomethyl)cyclohexane-κ^2^-P,P)- bis-[chloro(1,5-cyclooctadiene)iridium(I)]
• Formula: C42 H78 Cl2 Ir2 O0.5 P2
• Calculated formula: C42 H42 Cl2 Ir2 O0.5 P2
• Title of publication: Crystal structure of m-(cis-1,3-bis(di-tert-butylphosphinomethyl)cyclohexane-k2-P,P)-bis[chloro(1,5-cyclooctadiene)iridium(I)] — tetrahydrofuran (1:0.5), Ir2Cl2(C8H12)2[C8H14P2(C4H9)4] · 0.5C4H8O
• Authors of publication: Athimoolam Arunachalampillai; Daniel Olsson; Ola F. Wendt
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 3
• Pages of publication: 451
• a: 9.1257 ± 0.0001 Å
• b: 16.8704 ± 0.0002 Å
• c: 29.4032 ± 0.0004 Å
• α: 90°
• β: 98.101 ± 0.001°
• γ: 90°
• Cell volume: 4481.57 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.246
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No