Information card for entry 7103272

Structure parameters

• Common name: CompoundB
• Formula: C69 H48 N3 O12 Zn3
• Calculated formula: C69 H48 N3 O12 Zn3
• Title of publication: Ligand-elaboration as a strategy for engendering structural diversity in porous metal-organic framework compounds.
• Authors of publication: Gadzikwa, Tendai; Zeng, Bi-Shun; Hupp, Joseph T; Nguyen, Sonbinh T
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 31
• Pages of publication: 3672 - 3674
• a: 21.792 ± 0.002 Å
• b: 27.979 ± 0.003 Å
• c: 14.0334 ± 0.0015 Å
• α: 90°
• β: 93.579 ± 0.002°
• γ: 90°
• Cell volume: 8539.9 ± 1.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No