Information card for entry 4107309

Structure parameters

• Formula: C10 H12 Cu2 N4
• Calculated formula: C10 H12 Cu2 N4
• 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: 26.407 ± 0.003 Å
• b: 26.407 ± 0.003 Å
• c: 26.407 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18414 ± 4 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 2 K
• Number of distinct elements: 4
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.1169
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.2063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No