Information card for entry 7215069

Structure parameters

• Formula: C18 H22 Cu4 O23 Se
• Calculated formula: C18 H6 Cu4 O23 Se
• Title of publication: A unique microporous copper trimesate selenite with high selectivity for CO2
• Authors of publication: Papaefstathiou, Giannis S.; Subrahmanyam, Kota S.; Armatas, Gerasimos S.; Malliakas, Christos D.; Kanatzidis, Mercouri G.; Manos, Manolis J.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 17
• Pages of publication: 3483
• a: 41.0363 ± 0.0018 Å
• b: 12.1733 ± 0.0004 Å
• c: 14.1609 ± 0.0005 Å
• α: 90°
• β: 100.869 ± 0.003°
• γ: 90°
• Cell volume: 6947.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No