Information card for entry 7025946

Structure parameters

• Formula: C43 H42 F Ir O P2
• Calculated formula: C43 H42 F Ir O P2
• Title of publication: Synthesis and characterisation of some iridium-carbonyl-fluoride complexes. Crystal structures of [IrF(CO){P(C6H4-2-CH3)3}2] and [IrF2(COD)py2][BF4].
• Authors of publication: Fawcett, John; Harding, Duncan A. J.; Hope, Eric G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 25
• Pages of publication: 5827 - 5832
• a: 10.4725 ± 0.0015 Å
• b: 11.1807 ± 0.0016 Å
• c: 15.201 ± 0.002 Å
• α: 90°
• β: 92.106 ± 0.003°
• γ: 90°
• Cell volume: 1778.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0715
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No