Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4082236
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4082236.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H31 N Si Ti |
---|---|
Calculated formula | C35 H31 N Si Ti |
SMILES | [Ti]123456789([cH]%10[cH]1[cH]2[cH]3[cH]4%10)([cH]1[cH]5[cH]6[cH]7[cH]81)C(=C1C9=C([Si](N=C1c1ccccc1)(C)C)c1ccccc1)c1ccccc1 |
Title of publication | Reaction of Titanacyclobutene‒Silacyclobutene Fused-Ring Complexes with Nitriles via Formal Insertion of the C‒N Triple Bond of Nitrile into the Silacyclobutene Ring |
Authors of publication | Zhao, Jing; Zhang, Shaoguang; Zhang, Wen-Xiong; Xi, Zhenfeng |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 1 |
Pages of publication | 8 |
a | 15.9762 ± 0.0008 Å |
b | 11.2754 ± 0.0004 Å |
c | 17.1936 ± 0.0009 Å |
α | 90° |
β | 115.916 ± 0.006° |
γ | 90° |
Cell volume | 2785.8 ± 0.3 Å3 |
Cell temperature | 99.98 ± 0.11 K |
Ambient diffraction temperature | 99.98 ± 0.11 K |
Number of distinct elements | 5 |
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 | 0.0448 |
Residual factor for significantly intense reflections | 0.0366 |
Weighted residual factors for significantly intense reflections | 0.0913 |
Weighted residual factors for all reflections included in the refinement | 0.0977 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.7107 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/4082236.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.