Information card for entry 4130223

Structure parameters

• Common name: NOTT-300 (In) 1.09 CD4
• Formula: C9.09 H4 D4.35 In O5
• Calculated formula: C9.088 H4 D4.352 In O5
• Title of publication: Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework.
• Authors of publication: Savage, Mathew; da Silva, Ivan; Johnson, Mark; Carter, Joseph H.; Newby, Ruth; Suyetin, Mikhail; Besley, Elena; Manuel, Pascal; Rudić, Svemir; Fitch, Andrew N.; Murray, Claire; David, William I. F.; Yang, Sihai; Schröder, Martin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 29
• Pages of publication: 9119 - 9127
• a: 15.46363 ± 0.00005 Å
• b: 15.46363 ± 0.00005 Å
• c: 12.29044 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2938.94 ± 0.03 ų
• Cell temperature: 7 K
• Ambient diffraction temperature: 7 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
• Goodness-of-fit parameter for all reflections: 1.88888
• Method of determination: powder diffraction
• Diffraction radiation probe: neutron
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No