Information card for entry 2004032

Structure parameters

• Formula: C6 H8 Cu N6 O8
• Calculated formula: C6 H8 Cu N6 O8
• Title of publication: A Copper‒Nitromalonamide Complex
• Authors of publication: Simonsen, O.; la Cour, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 10
• Pages of publication: 2006 - 2008
• a: 6.922 ± 0.001 Å
• b: 12.297 ± 0.001 Å
• c: 6.922 ± 0.001 Å
• α: 90°
• β: 113.85 ± 0.01°
• γ: 90°
• Cell volume: 538.89 ± 0.13 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for all reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.027
• Goodness-of-fit parameter for all reflections: 7.287
• Goodness-of-fit parameter for significantly intense reflections: 7.678
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No