Information card for entry 7102126

Structure parameters

• Formula: C72 H48 Cu3 N12 O23
• Calculated formula: C72 H48 Cu3 N12 O23
• Title of publication: Unprecedented (3,4)-connected metal-organic frameworks (MOFs) with 3-fold interpenetration and considerable solvent-accessible void space.
• Authors of publication: Luo, Feng; Zheng, Ji-min; Batten, Stuart R
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 36
• Pages of publication: 3744 - 3746
• a: 18.604 ± 0.003 Å
• b: 18.604 ± 0.003 Å
• c: 19.756 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5921.7 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1616
• Weighted residual factors for all reflections included in the refinement: 0.1745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No