Information card for entry 7039711

Structure parameters

• Formula: C51 H35 Cl F10 Ir N9 O3 P Re
• Calculated formula: C51 H35 Cl F10 Ir N9 O3 P Re
• Title of publication: Synthesis and photophysical properties of Ir(iii)/Re(i) dyads: control of Ir→Re photoinduced energy transfer.
• Authors of publication: Saad, Suad T.; Metherell, Alexander J.; Baggaley, Elizabeth; Ward, Michael D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 28
• Pages of publication: 11568 - 11579
• a: 12.999 ± 0.003 Å
• b: 14.835 ± 0.003 Å
• c: 16.683 ± 0.003 Å
• α: 70.94 ± 0.009°
• β: 74.193 ± 0.008°
• γ: 75.254 ± 0.008°
• Cell volume: 2876.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No