Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4089402
Preview
Coordinates | 4089402.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H40 I Ni P3 Si |
---|---|
Calculated formula | C40 H40 I Ni P3 Si |
SMILES | c1(ccccc1)[P]1(c2ccccc2)c2ccccc2[Si]2(C)c3c(cccc3)[P](c3ccccc3)(c3ccccc3)[Ni]12(I)[P](C)(C)C |
Title of publication | Synthesis and Reactivity of Silyl Iron, Cobalt, and Nickel Complexes Bearing a [PSiP]-Pincer Ligand via Si‒H Bond Activation |
Authors of publication | Wu, Siquan; Li, Xiaoyan; Xiong, Zichang; Xu, Wengang; Lu, Yunqiang; Sun, Hongjian |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 11 |
Pages of publication | 3227 |
a | 14.963 ± 0.003 Å |
b | 15.194 ± 0.003 Å |
c | 18.985 ± 0.004 Å |
α | 90° |
β | 94.64 ± 0.03° |
γ | 90° |
Cell volume | 4302.1 ± 1.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0918 |
Residual factor for significantly intense reflections | 0.0591 |
Weighted residual factors for significantly intense reflections | 0.1644 |
Weighted residual factors for all reflections included in the refinement | 0.1903 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
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/4089402.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.