Information card for entry 4343380

Structure parameters

• Common name: [Fe{L-(Py)2(BzImH)2}(mpdp)Fe](ClO4)2.2CH3CN
• Formula: C53 H53 Cl2 Fe2 N10 O13
• Calculated formula: C53 H53 Cl2 Fe2 N10 O13
• Title of publication: Deprotonation in Mixed-Valent Diiron(II,III) Complexes with Aniline or Benzimidazole Ligands.
• Authors of publication: Gouré, Eric; Carboni, Michaël; Troussier, Angélique; Dubourdeaux, Patrick; Clémancey, Martin; Gon, Nathalie; Balasubramanian, Ramachandran; Lebrun, Colette; Pécaut, Jacques; Blondin, Geneviève; Latour, Jean-Marc
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 6257 - 6266
• a: 12.3827 ± 0.0009 Å
• b: 13.2351 ± 0.0007 Å
• c: 18.8207 ± 0.0011 Å
• α: 74.765 ± 0.005°
• β: 71.367 ± 0.006°
• γ: 71.904 ± 0.005°
• Cell volume: 2732 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No