Information card for entry 4349685

Structure parameters

• Formula: C46 H40 Cd2 I2 N2 O4 S2
• Calculated formula: C46 H40 Cd2 I2 N2 O4 S2
• SMILES: I[Cd]12([O]=S(C)C)[n]3c4c(cccc4ccc3/C=C/c3ccc4c(c3)cccc4)[O]1[Cd]1(I)([n]3c4c(cccc4ccc3/C=C/c3ccc4c(c3)cccc4)[O]21)[O]=S(C)C
• Title of publication: Assembly of four 8-quinolinate-based multinuclear complexes: the effect of substituents on core structures and photoluminescence properties
• Authors of publication: Yuan, Guozan; Zhang, Qi; Wang, Zhiping; Song, Kai; Yuan, Xiaomei; Wang, Yangzhi; Zhang, Liyan
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 5
• Pages of publication: 764
• a: 11.6754 ± 0.0018 Å
• b: 7.8687 ± 0.0012 Å
• c: 24.283 ± 0.004 Å
• α: 90°
• β: 93.351 ± 0.002°
• γ: 90°
• Cell volume: 2227.1 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No