Information card for entry 7223473

Structure parameters

• Formula: C36 H92 Cl2 Eu2 O20 Ti4
• Calculated formula: C36 H92 Cl2 Eu2 O20 Ti4
• SMILES: C([O]1[Eu]2345(Cl)([OH]CC)[O]67[Eu]89%10([OH]CC)([O]%112[Ti]2([O]8CC)([O]9(CC)[Ti]%11([O]2CC)([O]%10CC)(OCC)[O]5CC)(OCC)OCC)(Cl)[O](CC)[Ti]27([O]3(CC)[Ti]16([O]2CC)(OCC)OCC)([O]4CC)OCC)C
• Title of publication: Novel Eu-containing titania composites derived from a new Eu(III)-doped polyoxotitanate cage
• Authors of publication: Lv, Yaokang; Cai, Zhiwei; Yan, Dongpeng; su, chang; Li, Weijun; Chen, Wei; Ren, Zhuochao; Wei, Yongge; Ouyang, Mi; Zhang, Cheng; Wright, Dominic S.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 11.9475 ± 0.0007 Å
• b: 18.9968 ± 0.0013 Å
• c: 12.7731 ± 0.0009 Å
• α: 90°
• β: 92.489 ± 0.002°
• γ: 90°
• Cell volume: 2896.3 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0257
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No