Information card for entry 7021526

Structure parameters

• Formula: C54 H34 N0 O20 Zn3
• Calculated formula: C54 H30 O20 Zn3
• Title of publication: Selective CO2 adsorption and proton conductivity in the two-dimensional Zn(ii) framework with protruded water molecules and flexible ether linkers.
• Authors of publication: Phang, Won Ju; Lee, Woo Ram; Yoo, Kicheon; Kim, Bongsoo; Hong, Chang Seop
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 22
• Pages of publication: 7850 - 7853
• a: 16.7421 ± 0.0002 Å
• b: 16.7421 ± 0.0002 Å
• c: 14.3737 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3489.15 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.1284
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.1873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No