Information card for entry 1546788

Structure parameters

• Formula: C29 H6 Cu3 D44 O12
• Calculated formula: C47.25 H6 Cu3 O12
• Title of publication: Methane storage mechanism in the metal-organic framework Cu3(btc)2: An in situ neutron diffraction study
• Authors of publication: Getzschmann, Juergen; Senkovska, Irena; Wallacher, Dirk; Tovar, Michael; Fairen-Jimenez, David; Düren, Tina; van Baten, Jasper M.; Krishna, Rajamani; Kaskel, Stefan
• Journal of publication: Microporous and Mesoporous Materials
• Year of publication: 2010
• Journal volume: 136
• Journal issue: 1-3
• Pages of publication: 50 - 58
• a: 26.2765 ± 0.0004 Å
• b: 26.2765 ± 0.0004 Å
• c: 26.2765 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18142.7 ± 0.5 ų
• Ambient diffraction temperature: 77 ± 2 K
• Number of distinct elements: 5
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Method of determination: powder diffraction
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 2.816 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No