Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4119573
Preview
Coordinates | 4119573.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 7 |
---|---|
Formula | C38 H48 S2 Zr |
Calculated formula | C38 H48 S2 Zr |
SMILES | [Zr]123456789(C(=C%10C(=C1c1sccc1CCCCCC)CCCC%10)c1sccc1CCCCCC)([cH]1[cH]5[cH]4[cH]3[cH]21)[cH]1[cH]6[cH]7[cH]8[cH]91 |
Title of publication | The Marriage of Metallacycle Transfer Chemistry with Suzuki-Miyaura Cross-Coupling To Give Main Group Element-Containing Conjugated Polymers |
Authors of publication | Gang He; Le Kang; William Torres Delgado; Olena Shynkaruk; Michael J. Ferguson; Robert McDonald; Eric Rivard |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2013 |
Journal volume | 135 |
Pages of publication | 5360 - 5363 |
a | 37.7722 ± 0.0005 Å |
b | 9.0101 ± 0.0001 Å |
c | 20.3354 ± 0.0003 Å |
α | 90° |
β | 100.158 ± 0.0007° |
γ | 90° |
Cell volume | 6812.29 ± 0.16 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0395 |
Residual factor for significantly intense reflections | 0.032 |
Weighted residual factors for significantly intense reflections | 0.0833 |
Weighted residual factors for all reflections included in the refinement | 0.0876 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4119573.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.