Information card for entry 2225304

Structure parameters

• Chemical name: Bis(1<i>H</i>-imidazole-κ<i>N</i>^3^){2,2'-[propane-1,2- diylbis(nitrilomethylidyne)]diphenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}iron(III) perchlorate
• Formula: C23 H24 Cl Fe N6 O6
• Calculated formula: C23 H24 Cl Fe N6 O6
• SMILES: [Fe]123(Oc4c(C=[N]2C(C)C[N]3=Cc2ccccc2O1)cccc4)([n]1c[nH]cc1)[n]1c[nH]cc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Bis(1<i>H</i>-imidazole-κ<i>N</i>^3^){2,2'-[propane-1,2-diylbis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}iron(III) perchlorate
• Authors of publication: Kojima, Yoshihiro; Kato, Kazuya; Yamamoto, Yuuki; Inoue, Katsuya; Hayami, Shinya
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m302 - m303
• a: 10.4898 ± 0.0008 Å
• b: 16.4312 ± 0.0009 Å
• c: 14.7729 ± 0.0008 Å
• α: 90°
• β: 105.508 ± 0.0017°
• γ: 90°
• Cell volume: 2453.6 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1214
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes