Information card for entry 7013585

Structure parameters

• Chemical name: Tris[bis-5,5'-(1,3-propanediyldiimino)-2,2-dimethyl-4-hexene-3-onato] lanthanum dimer
• Formula: C57 H96 La2 N6 O6
• Calculated formula: C57 H96 La2 N6 O6
• SMILES: [La]12345([O]6[La]789%10%11(OC(=CC(=[N]%10CCC[N]2%11=C(C=C6C(C)(C)C)C)C)C(C)(C)C)OC(=CC(=[N]7CCC[N]8=C(C=C([O]39)C(C)(C)C)C)C)C(C)(C)C)OC(C(C)(C)C)=CC(=[N]4CCC[N]5=C(C=C(O1)C(C)(C)C)C)C
• Title of publication: Solvent influence on the formation of anhydrous mononuclear or multinuclear lanthanide complexes containing tetradentate Schiff-base ligands
• Authors of publication: Schuetz, Steven A.; Day, Victor W.; Rheingold, Arnold L.; Belot, John A.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 22
• Pages of publication: 4303
• a: 15.888 ± 0.0014 Å
• b: 18.916 ± 0.0017 Å
• c: 20.4748 ± 0.0019 Å
• α: 90°
• β: 92.124 ± 0.002°
• γ: 90°
• Cell volume: 6149.2 ± 1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No