Information card for entry 7231995

Structure parameters

• Formula: C12 H12 Cu N8 O6
• Calculated formula: C12 H12 Cu N8 O6
• Title of publication: Magnetic order and enhanced exchange in the quasi-one-dimensional molecule-based antiferromagnet Cu(NO₃)₂(pyz)₃.
• Authors of publication: Huddart, Benjamin M.; Brambleby, Jamie; Lancaster, Tom; Goddard, Paul A.; Xiao, Fan; Blundell, Stephen J.; Pratt, Francis L.; Singleton, John; Macchi, Piero; Scatena, Rebecca; Barton, Alyssa M.; Manson, Jamie L.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 3
• Pages of publication: 1014 - 1018
• a: 6.8023 ± 0.0003 Å
• b: 7.285 ± 0.0004 Å
• c: 9.2846 ± 0.0005 Å
• α: 93.815 ± 0.004°
• β: 111.477 ± 0.005°
• γ: 112.513 ± 0.005°
• Cell volume: 383.91 ± 0.04 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0204
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No