Information card for entry 4326593

Structure parameters

• Formula: C52 H40 Cl24 Fe2 N12 Se4
• Calculated formula: C52 H40 Cl24 Fe2 N12 Se4
• Title of publication: Cooperative Spin Transition in the Two-Dimensional Coordination Polymer [Fe(4,4'-bipyridine)2(NCX)2].4CHCl3 (X = S, Se)
• Authors of publication: Christopher J. Adams; M. Carmen Muñoz; Rachel E. Waddington; José Antonio Real
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10633 - 10642
• a: 22.693 ± 0.0019 Å
• b: 22.608 ± 0.002 Å
• c: 17.2911 ± 0.0016 Å
• α: 90°
• β: 116.933 ± 0.002°
• γ: 90°
• Cell volume: 7908.9 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No