Information card for entry 7209570

Structure parameters

• Formula: C25 H18 Cl2 N6 Zn
• Calculated formula: C25 H18 Cl2 N6 Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2c(n3c(cccc3)c2Cc2nc(n3c2cccc3)c2ncccc2)c2[n]1cccc2
• 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: 7.8615 ± 0.0006 Å
• b: 10.7668 ± 0.0008 Å
• c: 14.0784 ± 0.001 Å
• α: 73.473 ± 0.001°
• β: 84.73 ± 0.002°
• γ: 89.354 ± 0.001°
• Cell volume: 1137.44 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No