Information card for entry 4332882

Structure parameters

• Formula: C22 H22 La N5 O15 Zn
• Calculated formula: C22 H18 La N5 O15 Zn
• SMILES: [La]123456([O]7[Zn]89([N](=Cc%10cccc([O]1C)c7%10)c1ccccc1[N]8=Cc1cccc([O]3C)c1[O]49)[O])(ON(=O)=[O]5)(ON(=O)=[O]6)(ON(=O)=[O]2)[OH2]
• Title of publication: Heterobimetallic Zn(II)−Ln(III) Phenylene-Bridged Schiff Base Complexes, Computational Studies, and Evidence for Singlet Energy Transfer as the Main Pathway in the Sensitization of Near-Infrared Nd3+Luminescence
• Authors of publication: Lo, Wing-Kit; Wong, Wai-Kwok; Wong, Wai-Yeung; Guo, Jianping; Yeung, Kai-Tai; Cheng, Yuen-Kit; Yang, Xiaoping; Jones, Richard A.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9315 - 9325
• a: 13.7989 ± 0.0009 Å
• b: 14.1239 ± 0.0009 Å
• c: 14.3394 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2794.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0225
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No