Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4070402
Preview
Coordinates | 4070402.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H30 Cr I N2 |
---|---|
Calculated formula | C26 H30 Cr I N2 |
SMILES | c1(c(cccc1C)C)[N]1=C(C)C=C(C)N(c2c(cccc2C)C)[Cr]23451([cH]1[cH]2[cH]3[cH]4[cH]51)I |
Title of publication | Reactivity Consequences of Steric Reduction in Cyclopentadienyl Chromium β-Diketiminate Complexes |
Authors of publication | MacLeod, K. Cory; Conway, Julia L.; Tang, Liming; Smith, Joshua J.; Corcoran, Liam D.; Ballem, Katherine H. D.; Patrick, Brian O.; Smith, Kevin M. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 23 |
Pages of publication | 6798 |
a | 8.2236 ± 0.0004 Å |
b | 22.71 ± 0.001 Å |
c | 12.8442 ± 0.0007 Å |
α | 90° |
β | 97.115 ± 0.004° |
γ | 90° |
Cell volume | 2380.3 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0372 |
Residual factor for significantly intense reflections | 0.0309 |
Weighted residual factors for significantly intense reflections | 0.0725 |
Weighted residual factors for all reflections included in the refinement | 0.0748 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.187 |
Diffraction radiation wavelength | 0.71069 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/4070402.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.