Information card for entry 7040884

Structure parameters

• Formula: C50 H70 Er N2 O P Si2
• Calculated formula: C50 H70 Er N2 O P Si2
• SMILES: [Er]12([O]=P(c3c([N]2=C(N1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)cccc3)(c1ccccc1)c1ccccc1)(C[Si](C)(C)C)C[Si](C)(C)C.Cc1ccccc1
• 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: 12.02608 ± 0.00014 Å
• b: 12.31192 ± 0.00017 Å
• c: 19.7345 ± 0.0003 Å
• α: 107.364 ± 0.0012°
• β: 90.2711 ± 0.001°
• γ: 115.736 ± 0.0012°
• Cell volume: 2481.34 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No