Information card for entry 7026901

Structure parameters

• Formula: C83 H104 B2 Cl6 F8 Ir2 N6
• Calculated formula: C83 H103 B2 Cl6.01 F8 Ir2 N6
• Title of publication: Stabilisation of iridium(III) fluoride complexes with NHCs.
• Authors of publication: Fawcett, John; Harding, Duncan A. J.; Hope, Eric G.; Singh, Kuldip; Solan, Gregory A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 44
• Pages of publication: 10781 - 10789
• a: 11.0104 ± 0.0017 Å
• b: 19.823 ± 0.003 Å
• c: 21.835 ± 0.003 Å
• α: 66.828 ± 0.002°
• β: 78.61 ± 0.002°
• γ: 78.803 ± 0.002°
• Cell volume: 4258.9 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No