Information card for entry 7040112

Structure parameters

• Formula: C66 H60 Cd3 N4 O23
• Calculated formula: C66 H58 Cd3 N4 O23
• Title of publication: The influence of structural isomerism on fluorescence and organic dye selective adsorption in two complexes based on flexible ligands.
• Authors of publication: Huang, Wen-Huan; Li, Jia-Zhi; Gao, Lu-Sha; Wang, Yan-Xin; Liu, Shu-Ya; Jiang, Min; Liu, Tong; Wang, Yao-Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 38
• Pages of publication: 15060 - 15066
• a: 15.398 ± 0.008 Å
• b: 15.398 ± 0.008 Å
• c: 25.456 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5227 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.178
• Weighted residual factors for all reflections included in the refinement: 0.2044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No