Information card for entry 7209567

Structure parameters

• Formula: C53 H44 Cl4 Co2 N12 O2
• Calculated formula: C53 H44 Cl4 Co2 N12 O2
• SMILES: OCC.C12(c3[n]4[Co]5([n]6c(cccc6)c4n4ccccc34)([n]3c(cccc3)c3[n]5c1c1n3cccc1)(Cl)Cl)c1[n]3[Co]4([n]5c(cccc5)c5[n]4c2c2n5cccc2)([n]2c(cccc2)c3n2ccccc12)(Cl)Cl.OCC
• 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: 24.935 ± 0.003 Å
• b: 14.5352 ± 0.0015 Å
• c: 17.7035 ± 0.0019 Å
• α: 90°
• β: 131.687 ± 0.002°
• γ: 90°
• Cell volume: 4791.7 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0709
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No