Information card for entry 1516974

Structure parameters

• Common name: UMCM-12
• Formula: C98 H68 N2 O26 Zn8
• Calculated formula: C98 H68 N2 O26 Zn8
• Title of publication: Coordination copolymerization of three carboxylate linkers into a pillared layer framework
• Authors of publication: Dutta, Ananya; Wong-Foy, Antek G.; Matzger, Adam J.
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 10
• Pages of publication: 3729
• a: 24.8949 ± 0.0005 Å
• b: 42.564 ± 0.003 Å
• c: 32.7857 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 34741 ± 3 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No