Information card for entry 4334354

Structure parameters

• Formula: C16 H15 N6 O12 Pr
• Calculated formula: C16 H15 N6 O12 Pr
• Title of publication: Azide-Functionalized Lanthanide-Based Metal-Organic Frameworks Showing Selective CO2 Gas Adsorption and Postsynthetic Cavity Expansion
• Authors of publication: Sumi Ganguly; Pradip Pachfule; Sukhen Bala; Arijit Goswami; Sudeshna Bhattacharya; Raju Mondal
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 3588 - 3590
• a: 9.5713 ± 0.001 Å
• b: 9.9024 ± 0.001 Å
• c: 12.3279 ± 0.0013 Å
• α: 100.634 ± 0.003°
• β: 91.382 ± 0.003°
• γ: 111.021 ± 0.002°
• Cell volume: 1066.73 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0218
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No