Information card for entry 4332884

Structure parameters

• Formula: C24 H24 Er N5 O14 Zn
• Calculated formula: C24 H24 Er N5 O14 Zn
• SMILES: [Er]12345([O]6[Zn]78([N](=Cc9cccc([O]1C)c69)c1ccccc1[N]7=Cc1cccc([O]3C)c1[O]48)ON(=O)=O)(ON(=[O]5)=O)([O]=N(=O)O2)[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: 15.9057 ± 0.0013 Å
• b: 9.1628 ± 0.0008 Å
• c: 20.5282 ± 0.0017 Å
• α: 90°
• β: 106.688 ± 0.002°
• γ: 90°
• Cell volume: 2865.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1214
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1165
• 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