Information card for entry 1562483

Structure parameters

• Formula: C16 H19 Cu N2 O7.5
• Calculated formula: C16 H14 Cu N2 O7.5
• 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: 8.5911 ± 0.0003 Å
• b: 8.5872 ± 0.0003 Å
• c: 52.7295 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3890 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No