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Information card for entry 4081613
Preview
Coordinates | 4081613.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H61 B N9 Y |
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Calculated formula | C41 H61 B N9 Y |
SMILES | [Y]123([n]4n([BH](n6[n]1c(C)cc6C)n1[n]2c(C)cc1C)c(cc4C)C)(Nc1c(cccc1C(C)C)C(C)C)[N](=C(N3C(C)C)Cc1ccccc1)C(C)C |
Title of publication | Reactivity of Scorpionate-Anchored Yttrium Alkyl Primary Amido Complexes toward Carbodiimides. Insertion Selectivity of Y‒NHAr and Y‒CH2Ph Bonds |
Authors of publication | Yi, Weiyin; Huang, Shujian; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 19 |
Pages of publication | 5409 |
a | 12.946 ± 0.005 Å |
b | 21.045 ± 0.008 Å |
c | 15.816 ± 0.006 Å |
α | 90° |
β | 98.384 ± 0.005° |
γ | 90° |
Cell volume | 4263 ± 3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1081 |
Residual factor for significantly intense reflections | 0.054 |
Weighted residual factors for significantly intense reflections | 0.1106 |
Weighted residual factors for all reflections included in the refinement | 0.1298 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.907 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4081613.html
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