Information card for entry 7107989

Structure parameters

• Common name: H2Na4(Cu12(OH)6(pz)6(BTC)6)23H2O
• Formula: C72 H90 Cu12 N12 Na4 O65
• Calculated formula: C72 H42 Cu12 N12 Na4.02 O55.9
• Title of publication: A 12-connected metal-organic framework constructed from an unprecedented cyclic dodecanuclear copper cluster
• Authors of publication: Huan Zhang; Ying Lu; Zhi-Ming Zhang; Hai Fu; Yangguang Li; Dmytro Denysenko; Dirk Volkmer; Enbo Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 7295
• a: 24.3984 ± 0.0007 Å
• b: 24.3984 ± 0.0007 Å
• c: 24.3984 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14523.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No