Information card for entry 4125849

Structure parameters

• Formula: C306 H144 Mg6 O72 S36
• Calculated formula: C306 H144 Mg6 O72 S36
• Title of publication: The Organic Secondary Building Unit: Strong Intermolecular π Interactions Define Topology in MIT-25, a Mesoporous MOF with Proton-Replete Channels.
• Authors of publication: Park, Sarah S.; Hendon, Christopher H.; Fielding, Alistair J.; Walsh, Aron; O'Keeffe, Michael; Dincă, Mircea
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 10
• Pages of publication: 3619 - 3622
• a: 65.243 ± 0.01 Å
• b: 65.243 ± 0.01 Å
• c: 10.2551 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 37804 ± 10 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0904
• Weighted residual factors for significantly intense reflections: 0.2428
• Weighted residual factors for all reflections included in the refinement: 0.2519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No