Information card for entry 7052589

Structure parameters

• Common name: (2,2')-(1,2-phenylenebis(iminomethylidyne)bis(1-phenylbutane- 1,3-dione) (2-)-N,N',O$3!,O$3!')(bis(1H-imidazol-1-yl) methane)iron(ii)
• Chemical name: [2,2']-[1,2-phenylenebis(iminomethylidyne)bis(1-phenylbutane-1,3-dione) (2-)-<i>N</i>,<i>N</i>',<i>O</i>^3^,<i>O</i>^3^'](bis(1<i>H</i>-imidazol-1-yl) methane)iron(II)
• Formula: C35 H30 Fe N6 O4
• Calculated formula: C35 H30 Fe N6 O4
• Title of publication: Complete and incomplete spin transitions in 1D chain iron(ii) compounds
• Authors of publication: Pfaffeneder, Toni M.; Thallmair, Sebastian; Bauer, Wolfgang; Weber, Birgit
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 3
• Pages of publication: 691
• a: 10.4117 ± 0.0014 Å
• b: 10.5247 ± 0.0012 Å
• c: 15.4338 ± 0.0018 Å
• α: 74.913 ± 0.01°
• β: 79.006 ± 0.011°
• γ: 64.091 ± 0.013°
• Cell volume: 1463 ± 0.4 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1183
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No