Information card for entry 4349684

Structure parameters

• Formula: C108 H84 Br2 Cd4 N6 O12
• Calculated formula: C108 H84 Br2 Cd4 N6 O12
• SMILES: c12cccc3c1[n](c(cc3)/C=C/c1ccc(OC)cc1)[Cd]1345[n]6c7c(cccc7[O]4[Cd]47([n]8c9c([O]57[Cd]57%10([O]%113c3cccc%12c3[n](c(cc%12)/C=C/c3ccc(OC)cc3)[Cd]%11([O]21)(Br)[O]%10c1cccc2c1[n]5c(cc2)/C=C/c1ccc(OC)cc1)[n]1c2c(cccc2ccc1/C=C/c1ccc(OC)cc1)[O]47)cccc9ccc8/C=C/c1ccc(OC)cc1)Br)ccc6/C=C/c1ccc(OC)cc1
• 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: 15.217 ± 0.003 Å
• b: 23.666 ± 0.005 Å
• c: 13.238 ± 0.003 Å
• α: 90°
• β: 93.215 ± 0.003°
• γ: 90°
• Cell volume: 4759.8 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1344
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No