Information card for entry 8000147

Structure parameters

• Formula: C29 H39 Cl4 Fe2 N23 O26
• Calculated formula: C29 H39 Cl4 Fe2 N23 O26
• SMILES: [Fe]12345[n]6c[nH]cc6C=[N]1[N]1[Fe]67([n]8c(C=1)c[nH]c8)([N]([N]3=Cc1[n]2c[nH]c1)=Cc1[n]6c[nH]c1)[N]([N]5=Cc1[n]4c[nH]c1)=Cc1[n]7c[nH]c1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O=N(=O)C.O=N(=O)C.O=N(=O)C.O=N(=O)C.O=N(=O)C
• Title of publication: Spin States of Mono- and Dinuclear Iron(II) Complexes with Bis(imidazolylimine) Ligands
• Authors of publication: Fujita, Kunihiro; Kawamoto, Ryohei; Tsubouchi, Ryohei; Sunatsuki, Yukinari; Kojima, Masaaki; Iijima, Seiichiro; Matsumoto, Naohide
• Journal of publication: Chemistry Letters
• Year of publication: 2007
• Journal volume: 36
• Journal issue: 10
• Pages of publication: 1284
• a: 16.0009 ± 0.001 Å
• b: 17.2727 ± 0.001 Å
• c: 19.8102 ± 0.0011 Å
• α: 90°
• β: 102.548 ± 0.0019°
• γ: 90°
• Cell volume: 5344.3 ± 0.5 ų
• Cell temperature: 103.1 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 significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No