Information card for entry 7712170

Structure parameters

• Formula: C16 H17 Cu N5 O6
• Calculated formula: C16 H17 Cu N5 O6
• Title of publication: Two temperature-induced 1D Cu^II chain enantiomeric pairs showing different magnetic properties and nonlinear optical responses.
• Authors of publication: Li, Xi-Li; Li, Yanan; Wang, Ailing; Gao, Congli; Cui, Minghui; Liu, Cai-Ming; Zhou, Liming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 2440 - 2447
• a: 11.307 ± 0.003 Å
• b: 12.101 ± 0.003 Å
• c: 13.657 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1868.6 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0558
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No