Information card for entry 2225251

Structure parameters

• Chemical name: <i>catena</i>-Poly[[dichloridoiron(II)]-μ- 4,4''-bis(benzimidazol-1-yl)-1,1':4',1''-terphenyl]
• Formula: C32 H22 Cl2 Fe N4
• Calculated formula: C32 H22 Cl2 Fe N4
• SMILES: [Fe](Cl)(Cl)([n]1cn(c2c1cccc2)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)n1c[n](c2ccccc12)[Fe](Cl)Cl)[n]1cn(c2c1cccc2)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)n1cnc2ccccc12
• Title of publication: <i>catena</i>-Poly[[dichloridoiron(II)]-μ-4,4''-bis(benzimidazol-1-yl)-1,1':4',1''-terphenyl]
• Authors of publication: Li, Hui; Wei, Zhuangwei; Gong, Qiaojuan; Han, Qiuping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m267
• a: 14.519 ± 0.003 Å
• b: 14.303 ± 0.003 Å
• c: 12.461 ± 0.003 Å
• α: 90°
• β: 101.94 ± 0.03°
• γ: 90°
• Cell volume: 2531.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0576
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes