Information card for entry 4334353

Structure parameters

• Formula: C60 H61 Gd4 N22 O34
• Calculated formula: C60 H47 Gd4 N22 O34
• 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: 12.9215 ± 0.0005 Å
• b: 14.1331 ± 0.0006 Å
• c: 21.8864 ± 0.0009 Å
• α: 85.519 ± 0.002°
• β: 77.383 ± 0.002°
• γ: 84.823 ± 0.002°
• Cell volume: 3877.5 ± 0.3 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: 0.0678
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No