Information card for entry 7052586

Structure parameters

• Common name: (E,E)-((diethyl-2,2'-(1,2- phenylenebis(iminomethylidyne))bis(3-oxo-3-phenyl-propanato)(2-)- N,N',O$3!,O$3!')(1,3-bis(4-pyridyl) propane)iron(ii)
• Chemical name: (E,E)-[{diethyl-2,2'-[1,2-phenylenebis(iminomethylidyne)]bis[3-oxo-3-phenyl- propanato](2-)-<i>N</i>,<i>N</i>',<i>O</i>^3^,<i>O</i>^3^'}(1,3-bis(4-pyridyl) propane)iron(II)
• Formula: C43.54 H42.17 Fe N4 O6.54
• Calculated formula: C43.542 H42.168 Fe N4 O6.542
• 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: 19.3122 ± 0.0004 Å
• b: 16.5116 ± 0.0003 Å
• c: 25.1186 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8009.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 0.841
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No