Information card for entry 7036206

Structure parameters

• Formula: C31 H33 N2 O P
• Calculated formula: C31 H33 N2 O P
• SMILES: P(=O)(c1c(NC(=N\c2c(cccc2C)C)\C(C)(C)C)cccc1)(c1ccccc1)c1ccccc1
• Title of publication: Bis(alkyl) rare-earth complexes supported by a new tridentate amidinate ligand with a pendant diphenylphosphine oxide group. Synthesis, structures and catalytic activity in isoprene polymerization.
• Authors of publication: Tolpygin, Aleksei O.; Glukhova, Tatyana A.; Cherkasov, Anton V.; Fukin, Georgy K.; Aleksanyan, Diana V.; Cui, Dongmei; Trifonov, Alexander A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 37
• Pages of publication: 16465 - 16474
• a: 14.42698 ± 0.00018 Å
• b: 18 ± 0.0002 Å
• c: 10.28031 ± 0.00015 Å
• α: 90°
• β: 102.366 ± 0.0013°
• γ: 90°
• Cell volume: 2607.72 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0509
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No