Information card for entry 4324935

Structure parameters

• Formula: C23 H17 F6 Mn N O5
• Calculated formula: C23 H17 F6 Mn N O5
• 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: 26.406 ± 0.008 Å
• b: 10.626 ± 0.003 Å
• c: 8.473 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2377.4 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No