Information card for entry 7045982

Structure parameters

• Formula: C54 H48 Cd N6 O6 S2
• Calculated formula: C54 H48 Cd N6 O6 S2
• 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: 12.605 ± 0.0011 Å
• b: 13.8481 ± 0.0012 Å
• c: 14.4589 ± 0.0014 Å
• α: 101.81 ± 0.002°
• β: 98.07 ± 0.001°
• γ: 93.023 ± 0.001°
• Cell volume: 2437.3 ± 0.4 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: 0.1106
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.1911
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No