Information card for entry 7110030

Structure parameters

• Formula: C79 H48 N2 O36 Ti2 Zn6
• Calculated formula: C79 H42 N2 O36 Ti2 Zn6
• Title of publication: Unprecedented and highly symmetric (6,8)-connected topology in a porous metal-organic framework through a Zn-Ti heterometallic approach
• Authors of publication: Keunil Hong; Hyungphil Chun
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 10953
• a: 20.171 ± 0.003 Å
• b: 20.171 ± 0.003 Å
• c: 26.197 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9231 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.2453
• Weighted residual factors for all reflections included in the refinement: 0.2647
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.69999 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No