Information card for entry 2225014

Structure parameters

• Chemical name: Bis[2-(8-quinolyliminomethyl)phenolato- κ^3^<i>N</i>,<i>N</i>',<i>O</i>]iron(III) azide
• Formula: C32 H22 Fe N7 O2
• Calculated formula: C32 H22 Fe N7 O2
• SMILES: c12[N]3[Fe]45([n]6cccc(ccc2)c16)(Oc1ccccc1C=3)[N](=Cc1c(cccc1)O5)c1cccc2ccc[n]4c12.N(#N)=[N-]
• Title of publication: Bis[2-(8-quinolyliminomethyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]iron(III) azide
• 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: 2
• Pages of publication: m204
• a: 11.3717 ± 0.0008 Å
• b: 10.119 ± 0.0008 Å
• c: 11.7734 ± 0.0006 Å
• α: 90°
• β: 109.354 ± 0.0015°
• γ: 90°
• Cell volume: 1278.21 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 0.857
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes