Information card for entry 1501627

Structure parameters

• Formula: C30 H40 In N3 O14
• Calculated formula: C22 H10 In O8
• Title of publication: Pore with gate: modulating hydrogen storage in metal-organic framework materials via cation exchange
• Authors of publication: Yang, Sihai; Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I. F.; Sun, Junliang; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin
• Journal of publication: Faraday Discussions
• Year of publication: 2011
• Journal volume: 151
• Pages of publication: 19
• a: 9.9532 ± 0.0003 Å
• b: 9.9532 ± 0.0003 Å
• c: 26.7005 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2645.12 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 131
• Hermann-Mauguin space group symbol: P 42/m m c
• Hall space group symbol: -P 4c 2
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No