Information card for entry 4107426

Structure parameters

• Formula: C4.5 H1.5 Cu N2.16667 O6.571667
• Calculated formula: C4.5 H1.5 Cu N2.16667 O6.57167
• Title of publication: Supermolecular Building Blocks (SBBs) for the Design and Synthesis of Highly Porous Metal-Organic Frameworks
• Authors of publication: Farid Nouar; Jarrod F. Eubank; Till Bousquet; Lukasz Wojtas; Michael J. Zaworotko; Mohamed Eddaoudi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 1833 - 1835
• a: 44.358 ± 0.008 Å
• b: 44.358 ± 0.008 Å
• c: 44.358 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 87280 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.1085
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1781
• Weighted residual factors for all reflections included in the refinement: 0.1933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No