Information card for entry 4087229

Structure parameters

• Formula: C47 H71 B F4 Ir N O2 P2
• Calculated formula: C47 H71 B F4 Ir N O2 P2
• Title of publication: Selective Synthesis and Photophysical Properties of Phosphorescent Heteroleptic Iridium(III) Complexes with Two Different Bidentate Groups and Two Different Monodentate Ligands
• Authors of publication: Esteruelas, Miguel A.; Oñate, Enrique; Palacios, Adrián U.
• Journal of publication: Organometallics
• Year of publication: 2017
• a: 11.2358 ± 0.0011 Å
• b: 11.6571 ± 0.0012 Å
• c: 19.137 ± 0.003 Å
• α: 102.171 ± 0.002°
• β: 98.769 ± 0.002°
• γ: 104.34 ± 0.001°
• Cell volume: 2317.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0273
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No