Information card for entry 4330334

Structure parameters

• Formula: C84 H56 Cl12 Cu8 N20
• Calculated formula: C84 H56 Cl12 Cu8 N20
• SMILES: c12c3[n]4c(c5n3cccc5)C3(c5[n]6c(n7ccccc57)c5[n]([Cu]46([n]1cccc2)Cl)cccc5)c1[n]2c(n4c1cccc4)c1[n]([Cu]2(Cl)([Cl][Cu]24([n]5c(cccc5)c5[n]2c(C2(c6[n]7c(c8cccc[n]8[Cu]87([n]7c(cccc7)c7[n]8c2c2n7cccc2)Cl)n2ccccc62)c2cccc[n]42)c2n5cccc2)Cl)[n]2c3cccc2)cccc1.Cl[Cu][Cl-].Cl[Cu][Cl][Cu]Cl.Cl[Cu][Cl-]
• Title of publication: Metal-Mediated Controllable Creation of Secondary, Tertiary, and Quaternary Carbon Centers: A Powerful Strategy for the Synthesis of Iron, Cobalt, and Copper Complexes with in Situ Generated Substituted 1-Pyridineimidazo[1,5-a]pyridine Ligands
• Authors of publication: Yanmei Chen; Lei Li; Zhou Chen; Yonglu Liu; Hailiang Hu; Wenqian Chen; Wei Liu; Yahong Li; Tao Lei; Yanyuan Cao; Zhenghui Kang; Miaoshui Lin; Wu Li
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9705 - 9713
• a: 14.9373 ± 0.0017 Å
• b: 16.3418 ± 0.0018 Å
• c: 34.928 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8526 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.1189
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.23
• Weighted residual factors for all reflections included in the refinement: 0.249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No