Information card for entry 4339314

Structure parameters

• Common name: 8TbNO3 2NO3 Et2O
• Formula: C101 H134 N6 O19 P3 Tb
• Calculated formula: C97 H124 N6 O18 P3 Tb
• SMILES: [Tb]123456([O]=C(NCCOc7c(C(c8c(OCCNC(=[O]2)CP(=[O]3)(c2ccccc2)c2ccccc2)c(C(C)(C)CC)cc(C(C)(C)CC)c8)c2c(OCCNC(=[O]4)CP(=[O]5)(c3ccccc3)c3ccccc3)c(C(C)(C)CC)cc(C(C)(C)CC)c2)cc(cc7C(C)(C)CC)C(C)(C)CC)CP(=[O]1)(c1ccccc1)c1ccccc1)[O]=N(=O)O6.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: CMPO-functionalized C3-symmetric tripodal ligands in liquid/liquid extractions: efficient, selective recognition of Pu(IV) with low affinity for 3+ metal ions.
• Authors of publication: Matloka, Kornelia; Sah, Ajay K.; Peters, Matthew W.; Srinivasan, Priya; Gelis, Artem V.; Regalbuto, Monica; Scott, Michael J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 25
• Pages of publication: 10549 - 10563
• a: 12.5597 ± 0.0009 Å
• b: 15.5209 ± 0.0012 Å
• c: 28.949 ± 0.002 Å
• α: 93.7 ± 0.002°
• β: 90.632 ± 0.002°
• γ: 90.532 ± 0.002°
• Cell volume: 5630.9 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.112
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No