Information card for entry 4070671

Structure parameters

• Formula: C79 H123 K La N4 O4
• Calculated formula: C74 H112 K La N4 O4
• SMILES: [La]12(N(c3c(cccc3C(C)C)C(C)C)C(C)=CC(N1c1c(cccc1C(C)C)C(C)C)=C)N(c1c(cccc1C(C)C)C(C)C)C(C)=CC(=C)N2c1c(cccc1C(C)C)C(C)C.[K]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Strategies for the Synthesis of Lanthanum Dialkyl Complexes with Monoanionic Ancillary Ligands
• Authors of publication: Bambirra, Sergio; Perazzolo, Francesca; Boot, Steven J.; Sciarone, Timo J. J.; Meetsma, Auke; Hessen, Bart
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 4
• Pages of publication: 704
• a: 21.519 ± 0.003 Å
• b: 14.637 ± 0.002 Å
• c: 48.082 ± 0.007 Å
• α: 90°
• β: 96.458 ± 0.002°
• γ: 90°
• Cell volume: 15048 ± 4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1112
• Residual factor for significantly intense reflections: 0.0911
• Weighted residual factors for significantly intense reflections: 0.1685
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.255
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No