Information card for entry 2001437

Structure parameters

• Formula: C37 H44 F6 Ir N O6 P2
• Calculated formula: C37 H44 F9 Ir N O6 P2
• Title of publication: Structure of an iridium(I) complex of tris(2,6-dimethoxyphenyl)phosphine, [Ir(C~8~H~12~)(C~5~H~5~N)(P{2,6-(CH~3~O)~2~C~6~H~3~}~3~)][PF~6~]
• Authors of publication: Bedford, R. B.; Chaloner, P. A.; Hitchcock, P. B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 8
• Pages of publication: 1461 - 1463
• a: 16.609 ± 0.003 Å
• b: 13.662 ± 0.005 Å
• c: 17.28 ± 0.004 Å
• α: 90°
• β: 101.32 ± 0.02°
• γ: 90°
• Cell volume: 3844.8 ± 1.8 ų
• Cell temperature: 295 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.047
• Goodness-of-fit parameter for significantly intense reflections: 1.2
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No