Information card for entry 4330337

Structure parameters

• Formula: C44 H34 Cl4 Co2 N10 O
• Calculated formula: C44 H34 Cl4 Co2 N10 O
• SMILES: [Co]123(Cl)(Cl)[n]4ccccc4c4n5c(c(C6(c7[n]8[Co](Cl)(Cl)([n]9c6cccc9)[n]6c(c8n8c7cccc8)cccc6)c6[n]1c(n1c6cccc1)c1[n]2cccc1)[n]34)cccc5.C(C)O
• 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: 17.4656 ± 0.0019 Å
• b: 14.5552 ± 0.0016 Å
• c: 18.158 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4616 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1866
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.1926
• Weighted residual factors for all reflections included in the refinement: 0.247
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No