Information card for entry 7002953

Structure parameters

• Formula: C13 H6 Br2 Cl N2 O3 Re
• Calculated formula: C13 H6 Br2 Cl N2 O3 Re
• SMILES: [Re]1(Cl)(C#[O])(C#[O])(C#[O])[n]2cc(Br)ccc2c2ccc(Br)c[n]12
• 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: 8.0009 ± 0.0011 Å
• b: 9.4772 ± 0.0013 Å
• c: 11.702 ± 0.0015 Å
• α: 103.284 ± 0.002°
• β: 104.631 ± 0.002°
• γ: 97.333 ± 0.002°
• Cell volume: 819.17 ± 0.19 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No