Information card for entry 4302771

Structure parameters

• Formula: C13 H10.5 F3 Fe O4 P0.5
• Calculated formula: C13 H10.5 F3 Fe O4 P0.5
• Title of publication: Polymorphism and Inclusion Properties of Three-Dimensional Metal-Organometallic Frameworks Derived from a Terephthalate Sandwich Compound
• Authors of publication: Sayon A. Kumalah; K. Travis Holman
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6860 - 6872
• a: 17.325 ± 0.003 Å
• b: 10.02 ± 0.002 Å
• c: 15.361 ± 0.003 Å
• α: 90°
• β: 109.107 ± 0.002°
• γ: 90°
• Cell volume: 2519.7 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0459
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No