Information card for entry 7235529

Structure parameters

• Formula: C42 H45 Ir N2 O9 Ru
• Calculated formula: C42 H39 Ir N2 O9 Ru
• Title of publication: Ester-substituted cyclometallated rhodium and iridium coordination assemblies with π-bonded dioxolene ligand: synthesis, structures and luminescent properties
• Authors of publication: Damas, Aurelie; Sesolis, Hugo; Rager, Marie Noelle; Chamoreau, Lise Marie; Gullo, Maria Pia; Barbieri, Andrea; Amouri, Hani
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 45
• Pages of publication: 23740
• a: 22.2991 ± 0.0014 Å
• b: 24.5147 ± 0.0015 Å
• c: 18.4529 ± 0.0012 Å
• α: 90°
• β: 122.944 ± 0.003°
• γ: 90°
• Cell volume: 8465.4 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No