Information card for entry 4330329

Structure parameters

• Formula: C18 H12 Cl2 Fe N4 O
• Calculated formula: C18 H12 Cl2 Fe N4 O
• SMILES: [Fe]12(Cl)([n]3c(n4c(c3C(=O)c3[n]2cccc3)cccc4)c2[n]1cccc2)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: 16.6042 ± 0.0005 Å
• b: 14.1842 ± 0.0004 Å
• c: 16.1787 ± 0.0005 Å
• α: 90°
• β: 100.774 ± 0.002°
• γ: 90°
• Cell volume: 3743.2 ± 0.19 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: 0.041
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No