Information card for entry 7103489

Structure parameters

• Formula: C94 H88 N8 O20 Si2 Zn4
• Calculated formula: C94.9624 H88.4812 N9.8424 O20 Si2 Zn4
• Title of publication: Covalent surface modification of a metal-organic framework: selective surface engineering via Cu(I)-catalyzed Huisgen cycloaddition.
• Authors of publication: Gadzikwa, Tendai; Lu, Guang; Stern, Charlotte L; Wilson, Scott R; Hupp, Joseph T; Nguyen, Sonbinh T
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 43
• Pages of publication: 5493 - 5495
• a: 18.0511 ± 0.0008 Å
• b: 18.9764 ± 0.0008 Å
• c: 16.2258 ± 0.0006 Å
• α: 90°
• β: 94.144 ± 0.002°
• γ: 90°
• Cell volume: 5543.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No