Information card for entry 7020851

Structure parameters

• Formula: C32 H26 Cl N4 O4 Re
• Calculated formula: C32 H26 Cl N4 O4 Re
• SMILES: [Re]1(Cl)(C#[O])(C#[O])(C#[O])[n]2ccccc2c2cc(cc(c3ccccn3)[n]12)N(c1ccccc1)c1ccccc1.C(C)O
• Title of publication: Synthesis and photoluminescence properties of rhenium(i) complexes based on 2,2':6',2''-terpyridine derivatives with hole-transporting units.
• Authors of publication: Wang, Dong; Xu, Qiu-Lei; Zhang, Song; Li, Hong-Yan; Wang, Cheng-Cheng; Li, Tian-Yi; Jing, Yi-Ming; Huang, Wei; Zheng, You-Xuan; Accorsi, Gianluca
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 8
• Pages of publication: 2716 - 2723
• a: 7.0443 ± 0.0014 Å
• b: 26.056 ± 0.005 Å
• c: 17.159 ± 0.003 Å
• α: 90°
• β: 107.024 ± 0.007°
• γ: 90°
• Cell volume: 3011.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No