Information card for entry 7101828

Structure parameters

• Formula: C48 H34 N24 O9 Zn7
• Calculated formula: C48 H31.98 N24 O9 Zn7
• Title of publication: A pcu-type metal-organic framework with spindle [Zn7(OH)8]6+ cluster as secondary building units.
• Authors of publication: Li, Jian-Rong; Tao, Ying; Yu, Qun; Bu, Xian-He
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 15
• Pages of publication: 1527 - 1529
• a: 13.934 ± 0.002 Å
• b: 13.934 ± 0.002 Å
• c: 48.052 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8080 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No