Information card for entry 4135629

Structure parameters

• Mineral name: MFM-300-Fe_ND3loaded
• Formula: C8 H3 D5.04 Fe N2.23 O5
• Calculated formula: C8 H3 D5.044 Fe N2.232 O5
• Title of publication: High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host-Guest Binding.
• Authors of publication: Han, Xue; Lu, Wanpeng; Chen, Yinlin; da Silva, Ivan; Li, Jiangnan; Lin, Longfei; Li, Weiyao; Sheveleva, Alena M.; Godfrey, Harry G. W.; Lu, Zhenzhong; Tuna, Floriana; McInnes, Eric J. L.; Cheng, Yongqiang; Daemen, Luke L.; McPherson, Laura J McCormick; Teat, Simon J.; Frogley, Mark D.; Rudić, Svemir; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2021
• Journal volume: 143
• Journal issue: 8
• Pages of publication: 3153 - 3161
• a: 15.102 ± 0.002 Å
• b: 15.102 ± 0.002 Å
• c: 11.9998 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2736.8 ± 0.6 ų
• Cell temperature: 7 K
• Ambient diffraction temperature: 7 K
• Number of distinct elements: 6
• Space group number: 98
• Hermann-Mauguin space group symbol: I 41 2 2
• Hall space group symbol: I 4bw 2bw
• Residual factor for all reflections: 1.08245
• Goodness-of-fit parameter for all reflections: 2.83652
• Method of determination: powder diffraction
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No