Information card for entry 7018877

Structure parameters

• Common name: CuAsp
• Formula: C4 H9 Cu N O6
• Calculated formula: C4 H9 Cu N O6
• Title of publication: Tuning the coordination chemistry of a Cu(ii) complex at high-pressure.
• Authors of publication: Gould, Jamie A.; Rosseinsky, Matthew J.; Moggach, Stephen A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 18
• Pages of publication: 5464 - 5467
• a: 8.9747 ± 0.0005 Å
• b: 9.5739 ± 0.0006 Å
• c: 7.2465 ± 0.0011 Å
• α: 90°
• β: 91.332 ± 0.008°
• γ: 90°
• Cell volume: 622.47 ± 0.11 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Ambient diffracton pressure: 5900000 kPa
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for all reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.4762 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No