Information card for entry 4349682

Structure parameters

• Formula: C102 H66 Cd3 Cl6 N6 O6
• Calculated formula: C102 H66 Cd3 Cl6 N6 O6
• SMILES: c12c3c(ccc2)ccc([n]3[Cd]23([n]4c5c([O]2[Cd]267([n]8c9c(cccc9[O]7[Cd]79([n]%10c%11c(cccc%11ccc%10/C=C/c%10ccc(cc%10)Cl)O7)[n]7c%10c([O]29)cccc%10ccc7/C=C/c2ccc(cc2)Cl)ccc8/C=C/c2ccc(cc2)Cl)[n]2c7c([O]36)cccc7ccc2/C=C/c2ccc(cc2)Cl)cccc5ccc4/C=C/c2ccc(cc2)Cl)O1)/C=C/c1ccc(cc1)Cl
• 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: 32.872 ± 0.006 Å
• b: 20.387 ± 0.003 Å
• c: 13.895 ± 0.002 Å
• α: 90°
• β: 113.722 ± 0.002°
• γ: 90°
• Cell volume: 8525 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No