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Information card for entry 7040884
Preview
Coordinates | 7040884.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H70 Er N2 O P Si2 |
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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 Å3 |
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 |
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