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Information card for entry 4081612
Preview
Coordinates | 4081612.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H61 B N9 O Y |
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Calculated formula | C38 H61 B N9 O Y |
SMILES | [Y]123([n]4n([BH](n5[n]1c(C)cc5C)n1[n]2c(C)cc1C)c(cc4C)C)(N(C(N3C(C)C)=Nc1c(cccc1C(C)C)C(C)C)C(C)C)[O]1CCCC1 |
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 | 10.849 ± 0.005 Å |
b | 15.697 ± 0.007 Å |
c | 15.965 ± 0.007 Å |
α | 72.454 ± 0.005° |
β | 87.326 ± 0.006° |
γ | 86.787 ± 0.006° |
Cell volume | 2587 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0912 |
Residual factor for significantly intense reflections | 0.0599 |
Weighted residual factors for significantly intense reflections | 0.1359 |
Weighted residual factors for all reflections included in the refinement | 0.144 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.908 |
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/4081612.html
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Users of the data should acknowledge the original authors of the
structural data.