Information card for entry 7051740

Structure parameters

• Formula: C54 H48 N9 Nd O14 Zn2
• Calculated formula: C54 H48 N9 Nd O14 Zn2
• SMILES: [Nd]12345([O]6[Zn]78([O]1c1c(C=[N]7c7c([N]8=Cc8c6cccc8)cccc7)cccc1)[n]1ccccc1)([O]1[Zn]67([O]2c2c(C=[N]6c6c(cccc6)[N]7=Cc6c1cccc6)cccc2)[n]1ccccc1)(ON(=[O]4)=O)([O]=N(=O)O3)[O]=N(=O)O5.C(OCC)C
• Title of publication: Hetero-trinuclear near-infrared (NIR) luminescent Zn2Ln complexes from Salen-type Schiff-base ligands
• Authors of publication: Bi, Weiyu; Wei, Tao; Lü, Xingqiang; Hui, Yani; Song, Jirong; Zhao, Shunsheng; Wong, Wai-Kwok; Jones, Richard A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 11
• Pages of publication: 2326
• a: 14.654 ± 0.004 Å
• b: 19.038 ± 0.005 Å
• c: 19.859 ± 0.007 Å
• α: 90°
• β: 97.99 ± 0.008°
• γ: 90°
• Cell volume: 5487 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No