Information card for entry 7022547

Structure parameters

• Common name: TMOF-1
• Formula: C168 H166 N12 O44 Zn8
• Calculated formula: C168.261 H166.914 N12.087 O44.087 Zn8
• Title of publication: New metal-organic frameworks from triptycene: structural diversity from bulky bridges.
• Authors of publication: Crane, Angela K.; Patrick, Brian O.; MacLachlan, Mark J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 22
• Pages of publication: 8026 - 8033
• a: 21.898 ± 0.003 Å
• b: 22.149 ± 0.003 Å
• c: 24.663 ± 0.003 Å
• α: 109.978 ± 0.007°
• β: 109.835 ± 0.007°
• γ: 104.489 ± 0.007°
• Cell volume: 9626 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1176
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1774
• Weighted residual factors for all reflections included in the refinement: 0.2066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No