Information card for entry 4080228

Structure parameters

• Formula: C94 H95 La Na O15
• Calculated formula: C90 H85 La Na O13
• SMILES: [La]123456([O]=C(O1)C(c1ccccc1)(c1ccccc1)c1ccccc1)([O]=C([O]2[Na]1([O]4C(=[O]3)C(c3ccccc3)(c3ccccc3)c3ccccc3)(OC(=[O]5)C(c3ccccc3)(c3ccccc3)c3ccccc3)[O](C)CC[O]1C)C(c1ccccc1)(c1ccccc1)c1ccccc1)[O](C)CC[O]6C.O(C)CCOC
• Title of publication: Di- and Triphenylacetates of Lanthanum and Neodymium. Synthesis, Structural Diversity, and Application in Diene Polymerization
• Authors of publication: Roitershtein, Dmitrii M.; Vinogradov, Alexander A.; Vinogradov, Alexei A.; Lyssenko, Konstantin A.; Nelyubina, Yulia V.; Anan’ev, Ivan V.; Nifant’ev, Ilya E.; Yakovlev, Vladimir A.; Kostitsyna, Natalya N.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1272
• a: 15.6966 ± 0.0006 Å
• b: 16.1619 ± 0.0006 Å
• c: 18.5589 ± 0.0007 Å
• α: 108.516 ± 0.001°
• β: 98.655 ± 0.001°
• γ: 106.82 ± 0.001°
• Cell volume: 4118.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0632
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No