Information card for entry 4330332

Structure parameters

• Formula: C36 H26 Cl4 Fe2 N8
• Calculated formula: C36 H26 Cl4 Fe2 N8
• SMILES: c12[n]3[Fe]([n]4c1cccc4)([n]1c([C@@H](c3c3n2cccc3)[C@H]2c3[n]4c(c5cccc[n]5[Fe]4([n]4c2cccc4)(Cl)Cl)n2ccccc32)cccc1)(Cl)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: 9.2174 ± 0.0004 Å
• b: 9.4861 ± 0.0004 Å
• c: 9.9179 ± 0.0004 Å
• α: 89.205 ± 0.002°
• β: 84.97 ± 0.002°
• γ: 82.38 ± 0.002°
• Cell volume: 856.22 ± 0.06 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: 0.0484
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No