Information card for entry 4517019

Structure parameters

• Formula: C11 H7 N5 O7
• Calculated formula: C11 H7 N5 O7
• Title of publication: Construction of Pillar-Layer Metal‒Organic Frameworks for CO2 Adsorption under Humid Climate: High Selectivity and Sensitive Detection of Picric Acid in Water
• Authors of publication: Senthilkumar, S.; Goswami, Ranadip; Obasi, Nnamdi Lawrence; Neogi, Subhadip
• Journal of publication: ACS Sustainable Chemistry & Engineering
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 12
• Pages of publication: 11307
• a: 5.535 ± 0.002 Å
• b: 19.583 ± 0.009 Å
• c: 11.673 ± 0.005 Å
• α: 90°
• β: 97.599 ± 0.006°
• γ: 90°
• Cell volume: 1254.1 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Ambient diffracton pressure: 101.3 kPa
• Number of distinct elements: 4
• 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: 0.1075
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No