Information card for entry 7018963

Structure parameters

• Formula: C46 H0 O15 Zn4
• Calculated formula: C45 H16 O15 Zn4
• Title of publication: Functional tolerance in an isoreticular series of highly porous metal–organic frameworks
• Authors of publication: Kim, Min; Boissonnault, Jake A.; Allen, Corinne A.; Dau, Phuong V.; Cohen, Seth M.
• Journal of publication: Dalton Transactions
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 20
• Pages of publication: 6277
• a: 41.351 ± 0.004 Å
• b: 41.351 ± 0.004 Å
• c: 17.5266 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 25954 ± 4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.196
• Goodness-of-fit parameter for all reflections included in the refinement: 0.624
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No