Information card for entry 7023825

Structure parameters

• Formula: C16 H21 Cl2 Cu N3 O2
• Calculated formula: C16 H21 Cl2 Cu N3 O2
• Title of publication: First one-dimensional homochiral stairway-like Cu(II) chains: crystal structures, circular dichroism (CD) spectra, ferroelectricity and antiferromagnetic properties.
• Authors of publication: Li, Xi-Li; Chen, Chun-Lai; Han, Li-Feng; Liu, Cai-Ming; Song, You; Yang, Xiao-Gang; Fang, Shao-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 14
• Pages of publication: 5036 - 5041
• a: 6.3272 ± 0.0007 Å
• b: 9.8159 ± 0.0012 Å
• c: 16.2332 ± 0.0017 Å
• α: 90°
• β: 96.078 ± 0.008°
• γ: 90°
• Cell volume: 1002.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.2029
• Weighted residual factors for all reflections included in the refinement: 0.2143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No