Information card for entry 4104078

Structure parameters

• Formula: C65 H113 N15 O19 Zn
• Calculated formula: C24 H17 N O6 Zn
• Title of publication: Post-Synthesis Alkoxide Formation Within Metal-Organic Framework Materials: A Strategy for Incorporating Highly Coordinatively Unsaturated Metal Ions
• Authors of publication: Karen L. Mulfort; Omar K. Farha; Charlotte L. Stern; Amy A. Sarjeant; Joseph T. Hupp
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 3866 - 3868
• a: 11.3014 ± 0.0011 Å
• b: 15.7553 ± 0.0013 Å
• c: 15.7553 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2805.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 47
• Hermann-Mauguin space group symbol: P m m m
• Hall space group symbol: -P 2 2
• Residual factor for all reflections: 0.1477
• Residual factor for significantly intense reflections: 0.1078
• Weighted residual factors for significantly intense reflections: 0.2575
• Weighted residual factors for all reflections included in the refinement: 0.2723
• Goodness-of-fit parameter for all reflections included in the refinement: 0.793
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No