Information card for entry 7207321

Structure parameters

• Formula: C4 H12 Cu N6 O6
• Calculated formula: C4 H12 Cu N6 O6
• Title of publication: The high pressure behaviour of the 3D copper carbonate framework {[Cu(CO3)2](CH6N3)2}n
• Authors of publication: Spencer, Elinor C.; Ross, Nancy L.; Angel, Ross J.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 5
• Pages of publication: 2074
• a: 8.8645 ± 0.0003 Å
• b: 8.8645 ± 0.0003 Å
• c: 12.1191 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 952.31 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 118
• Hermann-Mauguin space group symbol: P -4 n 2
• Hall space group symbol: P -4 -2n
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1945
• Weighted residual factors for all reflections included in the refinement: 0.2061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.385
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No