Information card for entry 7228992

Structure parameters

• Formula: C26 H80 Cl3 O22 P4 Tb
• Calculated formula: C26 H80 Cl3 O22 P4 Tb
• SMILES: [Tb]12([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-].[Cl-].O.O.O.O.O.O
• 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: 10.347 ± 0.0007 Å
• b: 15.1905 ± 0.0013 Å
• c: 18.6403 ± 0.0018 Å
• α: 85.087 ± 0.002°
• β: 82.352 ± 0.001°
• γ: 76.5 ± 0.001°
• Cell volume: 2819 ± 0.4 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: 0.0545
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No