Information card for entry 4107310

Structure parameters

• Formula: C222 H276 Ag30 N60
• Calculated formula: C222 H276 Ag30 N60
• Title of publication: Supramolecular Isomerism, Framework Flexibility, Unsaturated Metal Center, and Porous Property of Ag(I)/Cu(I) 3,3',5,5'-Tetrametyl-4,4'-Bipyrazolate
• Authors of publication: Jie-Peng Zhang; Susumu Kitagawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 907 - 917
• a: 61.7239 ± 0.0011 Å
• b: 61.7239 ± 0.0011 Å
• c: 26.9189 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 102557 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No