Information card for entry 4302770

Structure parameters

• Formula: C15 H17 Co0.75 Fe N0.5 O7.5
• Calculated formula: C13 H11 Co0.75 Fe N0.5 O6.5
• 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: 13.596 ± 0.002 Å
• b: 14.676 ± 0.002 Å
• c: 17.16 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3424 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.1237
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1883
• Weighted residual factors for all reflections included in the refinement: 0.2043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No