Information card for entry 7218090

Structure parameters

• Formula: C33 H38 Ag Cl N4 O8
• Calculated formula: C33 H38 Ag Cl N4 O8
• Title of publication: Temperature-induced one-dimensional chiral Ag(i) linear chains and left-handed 21helices: DFT studies, luminescence and SHG response
• Authors of publication: Cheng, Lin; Wang, Jun; Qi, Qi; Zhang, Xiuying; Yu, Haiyan; Gou, Shaohua; Fang, Lei
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 43
• Pages of publication: 10056
• a: 9.1852 ± 0.0015 Å
• b: 10.2742 ± 0.0017 Å
• c: 10.3527 ± 0.0017 Å
• α: 84.69 ± 0.002°
• β: 83.518 ± 0.002°
• γ: 65.526 ± 0.002°
• Cell volume: 882.4 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No