Information card for entry 4330333

Structure parameters

• Formula: C46 H40 Cl3 Cu2 N10 O2
• Calculated formula: C46 H40 Cl3 Cu2 N10 O2
• SMILES: [Cu]123(Cl)[n]4c(cccc4)c4[n]1c(c1n4cccc1)C(c1[n]3c(n3ccccc13)c1[n]2cccc1)(c1nc(n2ccccc12)c1ncccc1)c1ccccn1.[Cu](Cl)[Cl-].OCC.CCO
• 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: 11.3315 ± 0.0015 Å
• b: 11.8754 ± 0.0016 Å
• c: 16.688 ± 0.002 Å
• α: 97.703 ± 0.002°
• β: 99.974 ± 0.002°
• γ: 99.862 ± 0.002°
• Cell volume: 2147.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1883
• Residual factor for significantly intense reflections: 0.1352
• Weighted residual factors for significantly intense reflections: 0.3846
• Weighted residual factors for all reflections included in the refinement: 0.412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.471
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No