Information card for entry 7040887

Structure parameters

• Formula: C52 H67 N3 P Si2 Y
• Calculated formula: C52 H67 N3 P Si2 Y
• SMILES: [Y]12([N](=C(N1c1ccccc1P(=[N]2c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C)c1c(cccc1C)C)(C[Si](C)(C)C)C[Si](C)(C)C.c1(ccccc1)C
• Title of publication: Bis(alkyl) rare-earth complexes coordinated by bulky tridentate amidinate ligands bearing pendant Ph2P[double bond, length as m-dash]O and Ph2P[double bond, length as m-dash]NR groups. Synthesis, structures and catalytic activity in stereospecific isoprene polymerization.
• Authors of publication: Rad'kova, Natalia Yu; Tolpygin, Aleksei O.; Rad'kov, Vasily Yu; Khamaletdinova, Nadia M.; Cherkasov, Anton V.; Fukin, Georgi K.; Trifonov, Alexander A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 46
• Pages of publication: 18572 - 18584
• a: 11.5972 ± 0.0003 Å
• b: 23.2241 ± 0.0005 Å
• c: 18.9698 ± 0.0005 Å
• α: 90°
• β: 90.183 ± 0.002°
• γ: 90°
• Cell volume: 5109.2 ± 0.2 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: 0.077
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No