Information card for entry 7033121

Structure parameters

• Formula: C62 H124 Cl2 Nd2 O42 Ti10
• Calculated formula: C62 H108 Cl2 Nd2 O42 Ti10
• SMILES: c1(ccccc1)C1O[Ti]2345[O](C(C)C)[Ti]6789([O]2[Ti]2%10([O]4C(C)C)([O]6C(C)C)(OC(C)C)[O]4[Ti]6%11%12([O]5[Nd]5%13%14([O]=1)(OCl(=[O]5)(=O)=O)([O]3[Ti]135(OC(C)C)[O]%13[Ti]%13%15%165([O](C(C)C)[Ti]5%17%18%19OC(c%20ccccc%20)=[O][Nd]%20%21%22(OCl(=[O]%20)(=O)=O)([O]%18[Ti]9([O]1%16)([O]7%21)([O]83)OC(C)C)([O]%19[Ti]%104([O]%11[Ti]%12([O]5C(C)C)([O]%13%17)([O]%15C(C)C)([O]6%14)OC(C)C)(OC(C)C)[O]2%22)OC(C)C)OC(C)C)OC(C)C)OC(C)C)OC(C)C
• 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: 15.092 ± 0.003 Å
• b: 17.568 ± 0.004 Å
• c: 18.631 ± 0.004 Å
• α: 90°
• β: 91.72 ± 0.03°
• γ: 90°
• Cell volume: 4937.5 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No