Information card for entry 1551161

Structure parameters

• Formula: C18 H18 In N3 O8
• Calculated formula: C18 H18 In N3 O8
• Title of publication: Solvent-switchable continuous-breathing behaviour in a diamoniod metal-organic framework and its influence on CO2 vs CH4 selectivity
• Authors of publication: Carrington, Elliot J.; McAnally, Craig A.; Fletcher, Ashleigh J.; Thompson, Stephen P.; Warren, Mark; Brammer, Lee
• Journal of publication: Nature Chemistry
• Year of publication: 2017
• Journal volume: 9
• Pages of publication: 882 - 889
• a: 15.3069 ± 0.0005 Å
• b: 26.9467 ± 0.0008 Å
• c: 31.284 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12903.7 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1834
• Weighted residual factors for all reflections included in the refinement: 0.1961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No