Information card for entry 7022053

Structure parameters

• Formula: C102 H168 Nd2 O24 P6
• Calculated formula: C102 H168 Nd2 O24 P6
• SMILES: P1(=[O][Nd]2345(O1)[O]=P(OCC)(Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)[O]4[Nd]14([O]=P(OCC)(Oc6c(cc(cc6C(C)(C)C)C)C(C)(C)C)[O]51)([O]=P(OCC)(Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)O4)([O]=P(OCC)(Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)O2)OP(OCC)(Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)=[O]3)(OCC)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C
• Title of publication: Easily accessible, hydrocarbon-soluble, crystalline, anhydrous lanthanide (Nd, La, and Y) phosphates.
• Authors of publication: Nifant'ev, Ilya E.; Tavtorkin, Alexander N.; Shlyahtin, Andrei V.; Korchagina, Sof'ya A.; Gavrilenko, Inna F.; Glebova, Natalya N.; Churakov, Andrei V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 4
• Pages of publication: 1223 - 1230
• a: 14.273 ± 0.003 Å
• b: 14.921 ± 0.003 Å
• c: 15.089 ± 0.003 Å
• α: 65.781 ± 0.002°
• β: 75.178 ± 0.003°
• γ: 82.048 ± 0.003°
• Cell volume: 2831.1 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No