Information card for entry 4314828

Structure parameters

• Formula: C4 H4 Cu N4 O6
• Calculated formula: C4 H4 Cu N4 O6
• Title of publication: First-Principles Bottom-Up Study of 1D to 3D Magnetic Transformation in the Copper Pyrazine Dinitrate S=1/2 Antiferromagnetic Crystal
• Authors of publication: J. Jornet-Somoza; M. Deumal; M. A. Robb; C. P. Landee; M. M. Turnbull; R. Feyerherm; J. J. Novoa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1750 - 1760
• a: 6.69166 ± 0.00012 Å
• b: 5.10538 ± 0.00008 Å
• c: 11.60022 ± 0.00018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 396.304 ± 0.011 ų
• 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No