Information card for entry 7209665

Structure parameters

• Formula: C48 H38 Cd3 N10 O18
• Calculated formula: C48 H38 Cd3 N10 O18
• Title of publication: Coordination assemblies of the CdII‒BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties
• Authors of publication: Huang, Fu-Ping; Yang, Zu-Mei; Yao, Peng-Fei; Yu, Qing; Tian, Jin-Lei; Bian, He-Dong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 14
• Pages of publication: 2657
• a: 11.175 ± 0.002 Å
• b: 11.499 ± 0.002 Å
• c: 22.243 ± 0.004 Å
• α: 83.95 ± 0.03°
• β: 83.06 ± 0.03°
• γ: 76.05 ± 0.03°
• Cell volume: 2745 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1225
• Residual factor for significantly intense reflections: 0.1036
• Weighted residual factors for significantly intense reflections: 0.2605
• Weighted residual factors for all reflections included in the refinement: 0.2745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No