Information card for entry 4332883

Structure parameters

• Formula: C24 H24 N5 Nd O14 Zn
• Calculated formula: C24 H24 N5 Nd O14 Zn
• SMILES: [Nd]123456([O](C)c7cccc8c7[O]1[Zn]17([O]3c3c(C=[N]7c7c([N]1=C8)cccc7)cccc3[O]2C)ON(=O)=[O]4)([O]=N(=O)O5)([O]=N(=O)O6)[OH]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: 9.5729 ± 0.0011 Å
• b: 12.5568 ± 0.0015 Å
• c: 13.7143 ± 0.0016 Å
• α: 86.346 ± 0.002°
• β: 73.593 ± 0.002°
• γ: 67.874 ± 0.002°
• Cell volume: 1463.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1145
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No