Information card for entry 7022837

Structure parameters

• Formula: C34 H52 Cl2 N2 O2 Y
• Calculated formula: C34 H52 Cl2 N2 O2 Y
• SMILES: [Y]1(Cl)(Cl)([O]2CCCC2)([O]2CCCC2)[N](=CC=[N]1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Rare-earth dichloro and bis(alkyl) complexes supported by bulky amido-imino ligand. Synthesis, structure, reactivity and catalytic activity in isoprene polymerization.
• Authors of publication: Kissel, Alexander A.; Lyubov, Dmitry M.; Mahrova, Tatyana V.; Fukin, Georgy K.; Cherkasov, Anton V.; Glukhova, Tatyana A.; Cui, Dongmei; Trifonov, Alexander A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 25
• Pages of publication: 9211 - 9225
• a: 10.103 ± 0.0006 Å
• b: 19.7166 ± 0.0012 Å
• c: 18.5131 ± 0.0011 Å
• α: 90°
• β: 105.332 ± 0.001°
• γ: 90°
• Cell volume: 3556.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0402
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No