Information card for entry 4332887

Structure parameters

• Formula: C36 H32 N2 O4
• Calculated formula: C36 H32 N2 O4
• SMILES: N(=C\c1cc(cc(OC)c1O)c1ccc(cc1)C)/c1ccccc1/N=C/c1cc(cc(OC)c1O)c1ccc(cc1)C
• 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: 16.761 ± 0.0018 Å
• b: 7.4221 ± 0.0008 Å
• c: 23.799 ± 0.003 Å
• α: 90°
• β: 105.982 ± 0.002°
• γ: 90°
• Cell volume: 2846.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1234
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No