Information card for entry 4325831

Structure parameters

• Formula: C49 H36 Fe N6 S6
• Calculated formula: C49 H36 Fe N6 S6
• Title of publication: π-Extended and Six-Coordinate Iron(II) Complexes: Structures, Magnetic Properties, and the Electrochemical Synthesis of a Conducting Iron(II) Metallopolymer
• Authors of publication: Brandon Djukic; Takele Seda; Serge I. Gorelsky; Alan J. Lough; Martin T. Lemaire
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7334 - 7343
• a: 10.1613 ± 0.0005 Å
• b: 15.1701 ± 0.0009 Å
• c: 16.5684 ± 0.001 Å
• α: 102.549 ± 0.003°
• β: 91.113 ± 0.004°
• γ: 106.291 ± 0.003°
• Cell volume: 2384.1 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 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: 0.143
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1639
• Weighted residual factors for all reflections included in the refinement: 0.1906
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No