Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7112910
Preview
Coordinates | 7112910.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H75 Co I2 N3 P3 Zr |
---|---|
Calculated formula | C45 H75 Co I2 N3 P3 Zr |
SMILES | I[Co]123[I][Zr]1(N(c1c(cc(cc1C)C)C)[P]2(C(C)C)C(C)C)(N(c1c(cc(cc1C)C)C)[P]3(C(C)C)C(C)C)N(c1c(cc(cc1C)C)C)P(C(C)C)C(C)C |
Title of publication | Oxidative addition across Zr/Co multiple bonds in early/late heterobimetallic complexes. |
Authors of publication | Thomas, Christine M.; Napoline, J. Wesley; Rowe, Gerard T.; Foxman, Bruce M. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 31 |
Pages of publication | 5790 - 5792 |
a | 27.2429 ± 0.0012 Å |
b | 31.7135 ± 0.0014 Å |
c | 16.8195 ± 0.0007 Å |
α | 90° |
β | 127.715 ± 0.002° |
γ | 90° |
Cell volume | 11495.3 ± 0.9 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 7 |
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 | 0.0315 |
Residual factor for significantly intense reflections | 0.0228 |
Weighted residual factors for all reflections | 0.0608 |
Weighted residual factors for significantly intense reflections | 0.0515 |
Weighted residual factors for all reflections included in the refinement | 0.0608 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0639 |
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/7112910.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.