Information card for entry 7133929

Structure parameters

• Chemical name: MFM-100_NH3
• Mineral name: MFM-100
• Formula: C8 H3 Cu N2.2 O4
• Calculated formula: C8 H3 Cu N1.7 O4
• Title of publication: High ammonia adsorption in copper-carboxylate materials: host-guest interactions and crystalline-amorphous-crystalline phase transitions.
• Authors of publication: Lu, Wanpeng; Chen, Yinlin; Wang, Zi; Guo, Lixia; Chen, Jin; Ma, Yujie; Li, Weiyao; Li, Jiangnan; He, Meng; Fan, Mengtian; Sheveleva, Alena M.; Tuna, Floriana; McInnes, Eric J. L.; Frogley, Mark D.; Chater, Philip A.; Dejoie, Catherine; Schröder, Martin; Yang, Sihai
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 85
• Pages of publication: 12385 - 12388
• a: 18.8651 ± 0.0004 Å
• b: 18.8651 ± 0.0004 Å
• c: 23.6734 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7296.4 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 6.57667
• Goodness-of-fit parameter for all reflections: 2.74901
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.35427 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No