Information card for entry 7134488

Structure parameters

• Formula: C36 H25 Fe3 O34 S6
• Calculated formula: C36 H24.0021 Fe3 O34 S6
• Title of publication: Pore space partition on a sulfonate-rich metal–organic framework for purification of methane from natural gas
• Authors of publication: Xue, Chaozhuang; Peng, Hui; Hou, Jinle; Qu, Konggang
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 45
• Pages of publication: 8244 - 8247
• a: 19.6053 ± 0.0008 Å
• b: 19.6053 ± 0.0008 Å
• c: 17.9744 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5983.2 ± 0.5 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.1195
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1966
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No