Information card for entry 7022548

Structure parameters

• Common name: TMOF-2a
• Formula: C87 H84 N7 O20 Zn4
• Calculated formula: C87 H84 N7 O20 Zn4
• 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: 19.556 ± 0.005 Å
• b: 16.33 ± 0.005 Å
• c: 25.573 ± 0.005 Å
• α: 90 ± 0.005°
• β: 91.097 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 8165 ± 4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2599
• Residual factor for significantly intense reflections: 0.1489
• Weighted residual factors for significantly intense reflections: 0.2771
• Weighted residual factors for all reflections included in the refinement: 0.3555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No