Information card for entry 7045983

Structure parameters

• Formula: C68 H52 Cd2 N4 O8 S4
• Calculated formula: C68 H52 Cd2 N4 O8 S4
• Title of publication: From 2D →3D interpenetration to packing: N coligand-driven structural assembly and tuning of luminescent sensing activities towards Fe³⁺ and Cr₂O₇^2- ions.
• Authors of publication: Chen, Zhiwei; Mi, Xiuna; Lu, Jing; Wang, Suna; Li, Yunwu; Dou, Jianmin; Li, Dacheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 17
• Pages of publication: 6240 - 6249
• a: 14.0069 ± 0.0013 Å
• b: 15.8052 ± 0.0014 Å
• c: 20.7852 ± 0.0018 Å
• α: 81.802 ± 0.001°
• β: 86.136 ± 0.002°
• γ: 88.281 ± 0.002°
• Cell volume: 4543.1 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1826
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.1932
• Weighted residual factors for all reflections included in the refinement: 0.2089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No