Information card for entry 7107258

Structure parameters

• Formula: C63 H39 N3 O22 Zn4
• Calculated formula: C63 H39 N3 O22 Zn4
• Title of publication: Photolabile protecting groups in metal-organic frameworks: preventing interpenetration and masking functional groups
• Authors of publication: Rajesh K. Deshpande; Geoffrey I. N. Waterhouse; Geoffrey B. Jameson; Shane G. Telfer
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 1574
• a: 17.2108 ± 0.0017 Å
• b: 17.2108 ± 0.0017 Å
• c: 17.2108 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5098 ± 0.9 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 215
• Hermann-Mauguin space group symbol: P -4 3 m
• Hall space group symbol: P -4 2 3
• Residual factor for all reflections: 0.1172
• Residual factor for significantly intense reflections: 0.1138
• Weighted residual factors for significantly intense reflections: 0.3214
• Weighted residual factors for all reflections included in the refinement: 0.3304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.464
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No