Information card for entry 7051794

Structure parameters

• Formula: C48 H50 N12 Nd2 O28 Zn2
• Calculated formula: C48 H46 N12 Nd2 O28 Zn2
• SMILES: C[O]1c2cccc3c2[O]2[Nd]45671([O]1[Zn]82([N](=C3)CC[N]8=Cc2c1c([O]6C)ccc2)[n]1ccc(cc1)/C=C/c1cc[n](cc1)[Zn]123[N]6=Cc8cccc9c8[O]2[Nd]28%10%11([O]9C)([O]3c3c(C=[N]1CC6)cccc3[O]2C)(ON(=O)=[O]8)(ON(=O)=[O]%10)ON(=O)=[O]%11)(ON(=O)=[O]4)(ON(=[O]5)=O)ON(=O)=[O]7.O.O
• Title of publication: Tetranuclear NIR luminescent Schiff-base Zn‒Nd complexes
• Authors of publication: Lü, Xingqiang; Bi, Weiyu; Chai, Wenli; Song, Jirong; Meng, Jianxin; Wong, Wai-Yeung; Wong, Wai-Kwok; Jones, Richard A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 127
• a: 9.1671 ± 0.0014 Å
• b: 10.4152 ± 0.0016 Å
• c: 16.667 ± 0.003 Å
• α: 92.882 ± 0.003°
• β: 100.841 ± 0.003°
• γ: 104.315 ± 0.003°
• Cell volume: 1506.5 ± 0.4 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: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No