Information card for entry 4080133

Structure parameters

• Formula: C64 H118 Al6 La2 N4
• Calculated formula: C64 H118 Al6 La2 N4
• SMILES: [La]1234([N](=CN([Al](C)(C)C)c5c(cc(cc5C)C)C)c5c([CH2]2[Al]([CH3]3)(C)[CH3]4)cc(cc5C)C)[CH3][Al]([CH3]1)(C)C.[La]123456([N](c7c(cc(cc7[CH2]2[Al]([CH3]3)([CH3]4)C)C)C)=CN([Al]([CH3]5)([CH3]6)C)c2c(cc(cc2C)C)C)[CH3][Al]([CH3]1)(C)C.C(CCC)CC
• Title of publication: C‒H Bond Activation and Isoprene Polymerization by Rare-Earth-Metal Tetramethylaluminate Complexes Bearing Formamidinato N-Ancillary Ligands
• Authors of publication: Hamidi, Shima; Jende, Lars N.; Martin Dietrich, H.; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1209
• a: 10.238 ± 0.002 Å
• b: 14.998 ± 0.003 Å
• c: 27.636 ± 0.002 Å
• α: 75.1 ± 0.03°
• β: 79.68 ± 0.03°
• γ: 74.01 ± 0.03°
• Cell volume: 3915.3 ± 1.4 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: 0.1151
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No