Information card for entry 7229000

Structure parameters

• Formula: C26 H68 Ce Cl3 O16 P4
• Calculated formula: C26 H68 Ce Cl3 O16 P4
• SMILES: [Ce]12(Cl)([O]=P(OC(C)C)(OC(C)C)CP(=[O]1)(OC(C)C)OC(C)C)([O]=P(OC(C)C)(OC(C)C)CP(=[O]2)(OC(C)C)OC(C)C)([OH2])([OH2])([OH2])[OH2].[Cl-].[Cl-]
• Title of publication: Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy
• Authors of publication: Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 66
• Pages of publication: 41651
• a: 11.978 ± 0.003 Å
• b: 13.572 ± 0.003 Å
• c: 16.458 ± 0.004 Å
• α: 97.679 ± 0.002°
• β: 109.533 ± 0.001°
• γ: 109.94 ± 0.002°
• Cell volume: 2275.9 ± 0.9 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0474
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No