Information card for entry 7051793

Structure parameters

• Formula: C50 H49 N12 Nd2 O27 Zn2
• Calculated formula: C50 H50 N12 Nd2 O27 Zn2
• SMILES: COc1cccc2c1[O]1[Nd]3456([O](c7cccc8C=[N]9CC[N](=C2)[Zn]19([n]1ccc(c2cc[n](cc2)[Zn]29%10[N]%11=Cc%12cccc(c%12[O]9[Nd]9%12%13%14([O]%10c%10c(C=[N]2CC%11)cccc%10[O]9C)(ON(=O)=[O]%12)(ON(=[O]%13)=O)ON(=O)=[O]%14)OC)cc1)[O]6c78)C)([O]=N(=O)O3)(ON(=[O]4)=O)ON(=O)=[O]5.C(OCC)C
• 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: 9.5651 ± 0.0005 Å
• b: 10.5104 ± 0.0006 Å
• c: 16.2642 ± 0.0009 Å
• α: 77.655 ± 0.001°
• β: 80.68 ± 0.001°
• γ: 74.253 ± 0.001°
• Cell volume: 1527.92 ± 0.15 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: 0.0281
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No