Information card for entry 4332885

Structure parameters

• Formula: C38 H35 N6 Nd O14 Zn
• Calculated formula: C38 H30 N6 Nd O14 Zn
• SMILES: [Nd]123456([O]7[Zn]89([O]1c1c(C=[N]9c9c([N]8=Cc8cc(cc([O]2C)c78)c2ccc(cc2)C)cccc9)cc(cc1[O]3C)c1ccc(cc1)C)[OH2])([O]=N(=O)O4)([O]=N(=O)O5)ON(=O)=[O]6.N#CC
• 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: 50.377 ± 0.003 Å
• b: 16.4194 ± 0.0009 Å
• c: 19.3599 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16013.7 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No