Information card for entry 7033120

Structure parameters

• Formula: C76 H126 Cl2 Eu2 N2 O42 Ti10
• Calculated formula: C76 H122 Cl2 Eu2 N2 O42 Ti10
• SMILES: c1c2c(c3ccccc3cc2ccc1)C1=[O][Eu]2345([N]#CC)(OCl(=O)(=[O]2)=O)[O]2[Ti]678(O1)[O]5[Ti]159([O]4[Ti]4%10%119([O](C(C)C)[Ti]9%12%13%14OC(=[O][Eu]%15%16%17%18([N]#CC)(OCl(=O)(=O)=[O]%15)[O]9[Ti]9%15([O]1[Ti]1%15([O]6C(C)C)([O]7[Ti]67([O]%17[Ti]%157([O]%12%18)(OC(C)C)[O]7[Ti]%122([O]3[Ti]7%12(OC(C)C)([O]%10C(C)C)([O]%13C(C)C)[O]%11%14)(OC(C)C)[O]6%15)([O]8C(C)C)(OC(C)C)[O]1C(C)C)([O]%169)OC(C)C)([O]54)OC(C)C)c1c2ccccc2cc2ccccc12)OC(C)C)OC(C)C.O.O
• Title of publication: Fluorescence and energy transfer properties of heterometallic lanthanide-titanium oxo clusters coordinated with anthracenecarboxylate ligands.
• Authors of publication: Wang, Sheng; Su, Hu-Chao; Yu, Lan; Zhao, Xiao-Wei; Qian, Li-Wen; Zhu, Qin-Yu; Dai, Jie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 4
• Pages of publication: 1882 - 1888
• a: 14.6136 ± 0.0008 Å
• b: 14.7178 ± 0.0008 Å
• c: 15.054 ± 0.0008 Å
• α: 64.86 ± 0.0015°
• β: 78.173 ± 0.0015°
• γ: 64.315 ± 0.0014°
• Cell volume: 2640.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No