Information card for entry 4339054

Structure parameters

• Formula: C32 H26 Br Cl2 N4 O3 Re
• Calculated formula: C32 H26 Br Cl2 N4 O3 Re
• SMILES: C(#[O])[Re]1(C#[O])(C#[O])([n]2c(c3cccc[n]13)n(c1c2cccc1)CCCCn1c2ccccc2c2ccccc12)Br.C(Cl)Cl
• Title of publication: Synthesis, structural characterization, and electrophosphorescent properties of rhenium(I) complexes containing carrier-transporting groups.
• Authors of publication: Si, Zhenjun; Li, Jiang; Li, Bin; Zhao, Feifei; Liu, Shiyong; Li, Wenlian
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 6155 - 6163
• a: 14.7407 ± 0.0008 Å
• b: 9.1414 ± 0.0005 Å
• c: 23.4181 ± 0.0013 Å
• α: 90°
• β: 98.232 ± 0.001°
• γ: 90°
• Cell volume: 3123.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1166
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No