Information card for entry 7036208

Structure parameters

• Formula: C43 H62 Er N2 O2 P Si2
• Calculated formula: C43 H62 Er N2 O2 P Si2
• SMILES: [Er]12([O]=P(c4c([N]1=C(N2c1c(cccc1C)C)C(C)(C)C)cccc4)(c1ccccc1)c1ccccc1)([O]1CCCC1)(C[Si](C)(C)C)C[Si](C)(C)C
• 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: 10.2426 ± 0.0012 Å
• b: 19.035 ± 0.002 Å
• c: 21.678 ± 0.003 Å
• α: 90°
• β: 95.195 ± 0.002°
• γ: 90°
• Cell volume: 4209.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0367
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No