Information card for entry 7209569

Structure parameters

• Formula: C50 H34 Cl2 Cu2 N12
• Calculated formula: C50 H34 Cl2 Cu2 N12
• SMILES: c1(c2[n]3[Cu]([n]4c(c5ncccc5)n5ccccc5c4C(c3c3n2cccc3)C2c3[n](c(c4ccccn4)n4ccccc34)[Cu]([n]3c(n4ccccc4c23)c2ncccc2)Cl)Cl)ccccn1
• Title of publication: CuII-mediated controllable creation of tertiary and quaternary carbon centers: designed assembly and structures of a new class of copper complexes supported by in situ generated substituted 1-pyridineimidazo[1,5-a]pyridine ligands
• Authors of publication: Chen, Yanmei; Li, Lei; Cao, Yanyuan; Wu, Jian; Gao, Qian; Li, Yahong; Hu, Hailiang; Liu, Wei; Liu, Yonglu; Kang, Zhenhui; Li, Jingping
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 14
• Pages of publication: 2675
• a: 10.271 ± 0.004 Å
• b: 17.067 ± 0.006 Å
• c: 12.28 ± 0.005 Å
• α: 90°
• β: 91.22 ± 0.009°
• γ: 90°
• Cell volume: 2152.1 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1336
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No