Information card for entry 2216114

Structure parameters

• Chemical name: (<i>OC</i>-6-13)-Bis(acetone)dihydridobis(tricyclohexylphosphine)iridium(III) tetrafluoridoborate acetone solvate
• Formula: C45 H86 B F4 Ir O3 P2
• Calculated formula: C45 H86 B F4 Ir O3 P2
• Title of publication: (<i>OC</i>-6-13)-Bis(acetone)dihydridobis(tricyclohexylphosphine)iridium(III) tetrafluoridoborate acetone solvate
• Authors of publication: Dahlenburg, Lutz; Menzel, Ralf; Heinemann, Frank W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2769 - m2770
• a: 10.218 ± 0.001 Å
• b: 25.199 ± 0.004 Å
• c: 19.621 ± 0.001 Å
• α: 90°
• β: 102.06 ± 0.005°
• γ: 90°
• Cell volume: 4940.6 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0399
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.0433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes