Information card for entry 7022641

Structure parameters

• Formula: C31 H23 N3 O13 Zn2
• Calculated formula: C31 H23 N3 O13 Zn2
• Title of publication: Dioxole functionalized metal-organic frameworks.
• Authors of publication: Dau, Phuong V.; Polanco, Luis R.; Cohen, Seth M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 11
• Pages of publication: 4013 - 4018
• a: 10.8947 ± 0.0006 Å
• b: 10.9708 ± 0.0006 Å
• c: 13.9891 ± 0.0007 Å
• α: 81.54 ± 0.002°
• β: 89.016 ± 0.002°
• γ: 87.658 ± 0.002°
• Cell volume: 1652.35 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1103
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No