Information card for entry 4515325

Structure parameters

• Formula: C25 H20 Ca N O6
• Calculated formula: C22 H11 Ca O5
• Title of publication: Biporous Metal-Organic Framework with Tunable CO₂/CH₄ Separation Performance Facilitated by Intrinsic Flexibility.
• Authors of publication: Gładysiak, Andrzej; Deeg, Kathryn S.; Dovgaliuk, Iurii; Chidambaram, Arunraj; Ordiz, Kaili; Boyd, Peter G.; Moosavi, Seyed Mohamad; Ongari, Daniele; Navarro, Jorge A. R.; Smit, Berend; Stylianou, Kyriakos C.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 42
• Pages of publication: 36144 - 36156
• a: 6.8859 ± 0.00011 Å
• b: 20.0624 ± 0.0004 Å
• c: 16.6453 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2299.51 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.1024
• Weighted residual factors for significantly intense reflections: 0.3739
• Weighted residual factors for all reflections included in the refinement: 0.3805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.916
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7153 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No