Information card for entry 4330335

Structure parameters

• Formula: C44 H34 Cl4 Fe2 N10 O
• Calculated formula: C44 H34 Cl4 Fe2 N10 O
• SMILES: [Fe]123(Cl)(Cl)[n]4c(c5n6c(c(C7(c8[n]9[Fe](Cl)(Cl)([n]%10c7cccc%10)[n]7c(c9n9c8cccc9)cccc7)c7[n]1c(n1c7cccc1)c1[n]3cccc1)[n]25)cccc6)cccc4.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: 17.551 ± 0.005 Å
• b: 14.52 ± 0.004 Å
• c: 18.101 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4613 ± 2 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: 0.0978
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1879
• Weighted residual factors for all reflections included in the refinement: 0.2143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No