Information card for entry 7225968

Structure parameters

• Formula: C70 H54 Cl12 N4 O14 Tb2
• Calculated formula: C70 H54 Cl12 N4 O14 Tb2
• SMILES: C1(c2c(Cl)cc(cc2)Cl)=[O][Tb]234([n]5cc(C)ccc5c5[n]2cc(cc5)C)([O]=C(c2c(cc(cc2)Cl)Cl)O[Tb]2(O1)([n]1cc(ccc1c1[n]2cc(cc1)C)C)([O]=C(c1c(cc(cc1)Cl)Cl)O3)([O]=C(c1c(cc(cc1)Cl)Cl)O4)(OC(=O)c1c(cc(cc1)Cl)Cl)[OH]CC)(OC(=O)c1c(cc(cc1)Cl)Cl)[OH]CC
• Title of publication: A series of lanthanide complexes with different N-donor ligands: Synthesis, structures, thermal properties and luminescent behavior
• Authors of publication: Wang, Ye; Shen, pan-pan; Ren, Ning; Zhang, Jian-Jun; geng, lina; Wang, Shu-Ping; Shi, Shikao
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.1571 ± 0.0008 Å
• b: 13.073 ± 0.0011 Å
• c: 15.5692 ± 0.0013 Å
• α: 79.315 ± 0.002°
• β: 72.115 ± 0.001°
• γ: 79.624 ± 0.002°
• Cell volume: 1916.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0801
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No