Information card for entry 4330340

Structure parameters

• Formula: C18 H14 Cl2 Co N4
• Calculated formula: C18 H14 Cl2 Co N4
• SMILES: [Co]12(Cl)(Cl)[n]3c(n4c(c3Cc3[n]1cccc3)cccc4)c1[n]2cccc1
• 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: 8.1394 ± 0.0013 Å
• b: 12.304 ± 0.0019 Å
• c: 17.638 ± 0.003 Å
• α: 91.17 ± 0.01°
• β: 102.963 ± 0.01°
• γ: 93.848 ± 0.01°
• Cell volume: 1716.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.2124
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.236
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No