Information card for entry 7002954

Structure parameters

• Formula: C38 H24 Cl3 N4 O3 Re
• Calculated formula: C38 H24 Cl3 N4 O3 Re
• SMILES: C(#[O])[Re]1(C#[O])(C#[O])(Cl)[n]2cc(ccc2c2ccc(c[n]12)n1c2ccccc2c2ccccc12)n1c2ccccc2c2ccccc12.C(Cl)Cl
• Title of publication: Synthesis, structural characterization and photoluminescence properties of rhenium(I) complexes based on bipyridine derivatives with carbazole moieties
• Authors of publication: Li, Hong-Yan; Wu, Jing; Zhou, Xin-Hui; Kang, Ling-Chen; Li, Dong-Ping; Sui, Yan; Zhou, Yong-Hui; Zheng, You-Xuan; Zuo, Jing-Lin; You, Xiao-Zeng
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 47
• Pages of publication: 10563 - 10569
• a: 28.81 ± 0.003 Å
• b: 12.8548 ± 0.0012 Å
• c: 21.063 ± 0.002 Å
• α: 90°
• β: 119.103 ± 0.002°
• γ: 90°
• Cell volume: 6815.8 ± 1.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.1484
• Residual factor for significantly intense reflections: 0.0971
• Weighted residual factors for significantly intense reflections: 0.1876
• Weighted residual factors for all reflections included in the refinement: 0.2088
• 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