Information card for entry 1562482

Structure parameters

• Formula: C14 H14 Cu N2 O6
• Calculated formula: C14 H12 Cu N2 O6
• Title of publication: Homochiral Cu(II) and Ni(II) malates with tunable structural features
• Authors of publication: Zavakhina, Marina S.; Samsonenko, Denis G.; Virovets, Alexander V.; Dybtsev, Danil N.; Fedin, Vladimir P.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2014
• Journal volume: 210
• Journal issue: 1
• Pages of publication: 125 - 129
• a: 8.6027 ± 0.0002 Å
• b: 8.6027 ± 0.0002 Å
• c: 43.7712 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3239.35 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No