Information card for entry 7051739

Structure parameters

• Formula: C42 H40 N9 Nd O14 Zn2
• Calculated formula: C42 H38 N9 Nd O14 Zn2
• SMILES: [Nd]1234([O]5[Zn]67([N](CC[N]6=Cc6c5cccc6)=Cc5c(cccc5)[O]17)[n]1ccccc1)([O]1[Zn]56([N](=Cc7ccccc17)CC[N]5=Cc1c([O]26)cccc1)[n]1ccccc1)(ON(=[O]3)=O)(ON(=O)=O)[O]=N(=O)O4.O
• 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: 21.4029 ± 0.0004 Å
• b: 11.2947 ± 0.0003 Å
• c: 18.8883 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4566.05 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No