Information card for entry 4130625

Structure parameters

• Formula: C8 H12 F5 N4 Nb Ni O3
• Calculated formula: C8 H8 F5 N4 Nb Ni O3
• Title of publication: A Fine-Tuned Fluorinated MOF Addresses the Needs for Trace CO2 Removal and Air Capture Using Physisorption.
• Authors of publication: Bhatt, Prashant M.; Belmabkhout, Youssef; Cadiau, Amandine; Adil, Karim; Shekhah, Osama; Shkurenko, Aleksander; Barbour, Leonard J.; Eddaoudi, Mohamed
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 29
• Pages of publication: 9301 - 9307
• a: 9.943 ± 0.004 Å
• b: 9.943 ± 0.004 Å
• c: 15.764 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1558.5 ± 1.1 ų
• Cell temperature: 295.5 ± 0.1 K
• Ambient diffraction temperature: 295.5 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 140
• Hermann-Mauguin space group symbol: I 4/m c m
• Hall space group symbol: -I 4 2c
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No