Information card for entry 4338538

Structure parameters

• Formula: C40 H41 N6 Nd O15 Zn
• Calculated formula: C40 H35 N6 Nd O15 Zn
• SMILES: [Nd]123456([O](C)c9c%10[O]1[Zn]1%11([O]3c3c(C=[N]%11CC[N]1=Cc%10cc(c9)c1cccc(c1)C=C)cc(cc3[O]2C)c1cccc(c1)C=C)[n]1ccccc1)([O]=N(=O)O4)(ON(=O)=[O]5)ON(=O)=[O]6.O=C=O
• Title of publication: Near-Infrared Luminescent PMMA-Supported Metallopolymers Based on Zn-Nd Schiff-Base Complexes.
• Authors of publication: Zhang, Zhao; Feng, Weixu; Su, Peiyang; Lü, Xingqiang; Song, Jirong; Fan, Daidi; Wong, Wai-Kwok; Jones, Richard A.; Su, Chengyong
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 5950 - 5960
• a: 12.009 ± 0.003 Å
• b: 15.962 ± 0.003 Å
• c: 13.365 ± 0.003 Å
• α: 90°
• β: 112.938 ± 0.004°
• γ: 90°
• Cell volume: 2359.3 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1374
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.1861
• Weighted residual factors for all reflections included in the refinement: 0.2294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No