Information card for entry 4130017

Structure parameters

• Chemical name: catena-(bis(μ~2~-pyrazine-N,N')-bis(nitrato-O,O')-copper(ii))
• Formula: C4 H4 Cu N4 O6
• Calculated formula: C4 H4 Cu N4 O6
• Title of publication: Experimental and Theoretical Electron Density Analysis of Copper Pyrazine Nitrate Quasi-Low-Dimensional Quantum Magnets.
• Authors of publication: Dos Santos, Leonardo H. R.; Lanza, Arianna; Barton, Alyssa M.; Brambleby, Jamie; Blackmore, William J. A.; Goddard, Paul A.; Xiao, Fan; Williams, Robert C.; Lancaster, Tom; Pratt, Francis L.; Blundell, Stephen J.; Singleton, John; Manson, Jamie L.; Macchi, Piero
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 7
• Pages of publication: 2280 - 2291
• a: 6.70122 ± 0.00007 Å
• b: 5.11854 ± 0.00005 Å
• c: 11.63508 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 399.089 ± 0.007 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 53
• Hermann-Mauguin space group symbol: P m n a
• Hall space group symbol: -P 2ac 2
• Residual factor for all reflections: 0.012
• Residual factor for significantly intense reflections: 0.009
• Weighted residual factors for all reflections included in the refinement: 0.026
• Goodness-of-fit parameter for all reflections included in the refinement: 0.832
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No