Information card for entry 7013586

Structure parameters

• Common name: (Bis-5,5'-(1,3-propanediyldiimino)-2,2-dimethyl-4-hexene-3-onato) neodymium (bis(trimethylsilyl)-amido)(tetrahydrofuran)
• Chemical name: [Bis-5,5'-(1,3-propanediyldiimino)-2,2-dimethyl-4-hexene-3-onato] neodymium[bis(trimethylsilyl)-amido][tetrahydrofuran]
• Formula: C29 H58 N3 Nd O3 Si2
• Calculated formula: C29 H58 N3 Nd O3 Si2
• SMILES: [Nd]123(N([Si](C)(C)C)[Si](C)(C)C)(OC(=CC(=[N]2CCC[N]3=C(C=C(O1)C(C)(C)C)C)C)C(C)(C)C)[O]1CCCC1
• 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: 11.3066 ± 0.0008 Å
• b: 15.7387 ± 0.0011 Å
• c: 20.1556 ± 0.0014 Å
• α: 90°
• β: 95.012 ± 0.001°
• γ: 90°
• Cell volume: 3573 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 0.857
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No