Information card for entry 4339313

Structure parameters

• Common name: Compound 16a3 CHCl3 0.5Et2O
• Formula: C105 H138 Cl9 N3 O9.5 P3
• Calculated formula: C103 H125 Cl9 N3 O9 P3
• 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: 17.25 ± 0.002 Å
• b: 18.07 ± 0.002 Å
• c: 21.557 ± 0.003 Å
• α: 87.288 ± 0.002°
• β: 66.965 ± 0.002°
• γ: 71.87 ± 0.002°
• Cell volume: 5855.4 ± 1.2 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: 0.1138
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.243
• Weighted residual factors for all reflections included in the refinement: 0.2673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No