Information card for entry 4302768

Structure parameters

• Common name: 06269
• Formula: C29 H31 Co1.5 Fe2 N2 O15
• Calculated formula: C26 H22 Co1.5 Fe2 O10
• 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: 13.5063 ± 0.001 Å
• b: 15.3586 ± 0.0011 Å
• c: 15.8303 ± 0.0011 Å
• α: 90°
• β: 95.849 ± 0.001°
• γ: 90°
• Cell volume: 3266.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No