Information card for entry 7132983

Structure parameters

• Mineral name: MFM-300Ti-1.27ND3
• Formula: C8 H3 D3.82 N1.27 O5 Ti
• Calculated formula: C8 H3 D3.816 N1.272 O5 Ti
• Title of publication: High adsorption of ammonia in a titanium-based metal-organic framework.
• Authors of publication: Zeng, Xiangdi; Li, Jiangnan; He, Meng; Lu, Wanpeng; Crawshaw, Danielle; Guo, Lixia; Ma, Yujie; Kippax-Jones, Meredydd; Cheng, Yongqiang; Manuel, Pascal; Rudić, Svemir; Frogley, Mark D.; Schröder, Martin; Yang, Sihai
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 46
• Pages of publication: 5912 - 5915
• a: 14.92 ± 0.0004 Å
• b: 14.92 ± 0.0004 Å
• c: 12.1536 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2705.47 ± 0.12 ų
• Cell temperature: 10 K
• Ambient diffraction temperature: 10 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: 0.86843
• Goodness-of-fit parameter for all reflections: 2.808
• Method of determination: powder diffraction
• Diffraction radiation probe: neutron
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No