Information card for entry 7712171

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: 10.4166 ± 0.0009 Å
• b: 9.0426 ± 0.0008 Å
• c: 19.36 ± 0.0018 Å
• α: 90°
• β: 105.247 ± 0.002°
• γ: 90°
• Cell volume: 1759.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No