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Information card for entry 4080180
Preview
Coordinates | 4080180.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H60 N3 O0 P2 Sc Si2 |
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Calculated formula | C48 H60 N3 P2 Sc Si2 |
SMILES | [Sc]12([N](=P([N]1=P(N2c1c(cccc1C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cccc1C)C)(C[Si](C)(C)C)C[Si](C)(C)C |
Title of publication | Rare-Earth-Metal Complexes Bearing Phosphazene Ancillary Ligands: Structures and Catalysis toward Highly Trans-1,4-Selective (Co)Polymerizations of Conjugated Dienes |
Authors of publication | Rong, Weifeng; Liu, Dongtao; Zuo, Huiping; Pan, Yupeng; Jian, Zhongbao; Li, Shihui; Cui, Dongmei |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 5 |
Pages of publication | 1166 |
a | 12.4059 ± 0.0009 Å |
b | 21.1873 ± 0.0015 Å |
c | 17.9735 ± 0.0013 Å |
α | 90° |
β | 97.811 ± 0.001° |
γ | 90° |
Cell volume | 4680.5 ± 0.6 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 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 | 0.1098 |
Residual factor for significantly intense reflections | 0.0574 |
Weighted residual factors for significantly intense reflections | 0.1097 |
Weighted residual factors for all reflections included in the refinement | 0.1288 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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