Information card for entry 7039710

Structure parameters

• Formula: C51 H35 Cl F4 Ir N10 O6 Re
• Calculated formula: C51 H35 Cl F4 Ir N10 O6 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: 17.2876 ± 0.001 Å
• b: 13.6694 ± 0.0009 Å
• c: 24.8368 ± 0.0014 Å
• α: 90°
• β: 94.513 ± 0.002°
• γ: 90°
• Cell volume: 5851 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1091
• 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: No
• Has Fobs: No