Information card for entry 7707364

Structure parameters

• Formula: C22 H27 Cl F6 Ir N2 O2 P
• Calculated formula: C22 H27 Cl F6 Ir N2 O2 P
• Title of publication: Unexpected solution behaviour of ester-functionalized half-sandwich Ru(II) and Ir(III) complexes.
• Authors of publication: Masaryk, Lukáš; Nemec, Ivan; Kašpárková, Jana; Brabec, Viktor; Štarha, Pavel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 23
• Pages of publication: 8017 - 8028
• a: 8.0751 ± 0.0002 Å
• b: 11.6201 ± 0.0002 Å
• c: 14.454 ± 0.0002 Å
• α: 103.8 ± 0.002°
• β: 92.704 ± 0.002°
• γ: 107.122 ± 0.002°
• Cell volume: 1248.63 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No