Information card for entry 7211420

Structure parameters

• Formula: C70 H60 N13 O10 Tb Zn
• Calculated formula: C70 H60 N13 O10 Tb Zn
• SMILES: c1cccc2c1c1N=c3c4c(cccc4)c4=Nc5c6c(cccc6)c6=Nc7c8ccccc8c8N=c2[n]1[Tb]129(n34)([n]56)(n78)[N]3c4c(cccc4)[N]1=Cc1cccc(c1[O]9[Zn]([n]1ccccc1)([n]1ccccc1)(ON(=O)=O)[O]2c1c(cccc1OC)C=3)OC.CO.C1CCCO1.OC
• Title of publication: Mixed (phthalocyanine)(Schiff-base) terbium(iii)‒alkali metal(i)/zinc(ii) complexes: synthesis, structures, and spectroscopic properties
• Authors of publication: Ma, Qi; Feng, Xuenan; Cao, Wei; Wang, Hailong; Jiang, Jianzhuang
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 47
• Pages of publication: 10383
• a: 13.1038 ± 0.0003 Å
• b: 32.3516 ± 0.0006 Å
• c: 15.5736 ± 0.0004 Å
• α: 90°
• β: 105.086 ± 0.002°
• γ: 90°
• Cell volume: 6374.6 ± 0.3 ų
• Cell temperature: 149.95 ± 0.1 K
• Ambient diffraction temperature: 149.95 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1119
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No