Information card for entry 4330339

Structure parameters

• Formula: C30 H21 Cl2 Fe N7
• Calculated formula: C30 H21 Cl2 Fe N7
• SMILES: [Fe]12([n]3c(c4n5c(c([n]24)C(c2nc(n4c2cccc4)c2ccccn2)c2[n]1cccc2)cccc5)cccc3)(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: 10.722 ± 0.002 Å
• b: 11.3079 ± 0.0012 Å
• c: 12.7308 ± 0.0013 Å
• α: 113.741 ± 0.006°
• β: 108.325 ± 0.009°
• γ: 93.214 ± 0.009°
• Cell volume: 1311.3 ± 0.3 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: 0.1628
• Residual factor for significantly intense reflections: 0.1196
• Weighted residual factors for significantly intense reflections: 0.3368
• Weighted residual factors for all reflections included in the refinement: 0.3546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No