Information card for entry 4313338

Structure parameters

• Formula: C19 H28 Cl3 Fe N6 O
• Calculated formula: C19 H28 Cl3 Fe N6 O
• SMILES: [Fe]12(Cl)(Cl)(Cl)[n]3c(n(cc3)C)C(c3[n]1ccn3C)(C(c1[n]2cn(c1)C(C)C)(C)C)OC
• Title of publication: Synthesis, X-ray Crystal Structure, and Redox and Electronic Properties of Iron(III)-Polyimidazole Complexes Relevant to the Metal Sites of Iron Proteins
• Authors of publication: Anne-Sophie Chauvin; Yves-Michel Frapart; Jacqueline Vaissermann; Bruno Donnadieu; Jean-Pierre Tuchagues; Jean-Claude Chottard; Yun Li
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1895 - 1900
• a: 9.7406 ± 0.0005 Å
• b: 17.207 ± 0.002 Å
• c: 14.615 ± 0.002 Å
• α: 90°
• β: 104.448 ± 0.009°
• γ: 90°
• Cell volume: 2372.1 ± 0.5 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0547
• Goodness-of-fit parameter for significantly intense reflections: 0.9702
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No