Information card for entry 4349814

Structure parameters

• Formula: C84 H84 N6 O30 Sr4
• Calculated formula: C84 H90 N6 O30 Sr4
• Title of publication: Selective CO2 adsorption in water-stable alkaline-earth based metal‒organic frameworks
• Authors of publication: Tang, Yiwen; Kourtellaris, Andreas; Tasiopoulos, Anastasios J.; Teat, Simon J.; Dubbeldam, David; Rothenberg, Gadi; Tanase, Stefania
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 541
• a: 14.287 ± 0.005 Å
• b: 19.257 ± 0.005 Å
• c: 19.522 ± 0.005 Å
• α: 65.213 ± 0.005°
• β: 73.212 ± 0.005°
• γ: 75.976 ± 0.005°
• Cell volume: 4623 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0686
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No