Information card for entry 4324934

Structure parameters

• Formula: C46 H32 F12 Mn2 N2 O9
• Calculated formula: C46 H32 F12 Mn2 N2 O9
• Title of publication: Structural, Magnetic, and Gas Adsorption Study of a Series of Partially Fluorinated Metal-Organic Frameworks (HF-MOFs)
• Authors of publication: Pradip Pachfule; Raja Das; Pankaj Poddar; Rahul Banerjee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 3855 - 3865
• a: 28.086 ± 0.008 Å
• b: 7.583 ± 0.002 Å
• c: 12.109 ± 0.003 Å
• α: 90°
• β: 105.461 ± 0.005°
• γ: 90°
• Cell volume: 2485.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No