Information card for entry 2230553

Structure parameters

• Chemical name: <i>cis</i>-Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')dichloridoiron(III) perchlorate
• Formula: C20 H16 Cl3 Fe N4 O4
• Calculated formula: C20 H16 Cl3 Fe N4 O4
• SMILES: [Fe]12(Cl)(Cl)([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: <i>cis</i>-Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')dichloridoiron(III) perchlorate
• Authors of publication: Zhang, Zhi-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m677
• a: 10.891 ± 0.002 Å
• b: 11.522 ± 0.002 Å
• c: 16.99 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2132 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes