Information card for entry 4344747

Structure parameters

• Common name: MFM-300 (Ga1.9Fe0.1) 2.07CO2
• Formula: C18.06 H8 Fe0.1 Ga1.9 O14.12
• Calculated formula: C18.068 H8 Fe0.1 Ga1.9 O14.136
• Title of publication: Enhancement of CO2 Adsorption and Catalytic Properties by Fe-Doping of [Ga2(OH)2(L)] (H4L = Biphenyl-3,3',5,5'-tetracarboxylic Acid), MFM-300(Ga2).
• Authors of publication: Krap, Cristina P.; Newby, Ruth; Dhakshinamoorthy, Amarajothi; García, Hermenegildo; Cebula, Izabela; Easun, Timothy L.; Savage, Mathew; Eyley, Jennifer E.; Gao, Shan; Blake, Alexander J.; Lewis, William; Beton, Peter H.; Warren, Mark R.; Allan, David R.; Frogley, Mark D.; Tang, Chiu C.; Cinque, Gianfelice; Yang, Sihai; Schröder, Martin
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 1076 - 1088
• a: 14.924 ± 0.008 Å
• b: 14.924 ± 0.008 Å
• c: 11.929 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2657 ± 3 ų
• Cell temperature: 195 ± 2 K
• Ambient diffraction temperature: 195.15 K
• Number of distinct elements: 5
• 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: 0.0544
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No