Information card for entry 7207316

Structure parameters

• Formula: C23 H16 Cl3 N2 O4 Re
• Calculated formula: C23 H16 Cl3 N2 O4 Re
• SMILES: C(#[O])[Re]1(C#[O])(C#[O])(Cl)[n]2c3c(ccc4ccc[n]1c34)ccc2c1ccccc1OC.C(Cl)Cl
• Title of publication: New rhenium(i) complexes with substituted diimine ligands for highly efficient phosphorescent devices fabricated by a solution process
• Authors of publication: Liu, Xiaoming; Xia, Hong; Gao, Wei; Wu, Qiaolin; Fan, Xiao; Mu, Ying; Ma, Chunsheng
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 8
• Pages of publication: 3485
• a: 9.808 ± 0.002 Å
• b: 11.209 ± 0.002 Å
• c: 12.043 ± 0.002 Å
• α: 79.92 ± 0.03°
• β: 87.34 ± 0.03°
• γ: 65.46 ± 0.03°
• Cell volume: 1185.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No