Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7041533
Preview
Coordinates | 7041533.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H28 Fe3 |
---|---|
Calculated formula | C36 H28 Fe3 |
Title of publication | Sandwich and half-sandwich metal complexes derived from cross-conjugated 3-methylene-penta-1,4-diynes. |
Authors of publication | Vincent, Kevin B.; Gluyas, Josef B. G.; Zeng, Qiang; Yufit, Dmitry S.; Howard, Judith A. K.; Hartl, František; Low, Paul J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2017 |
Journal volume | 46 |
Journal issue | 17 |
Pages of publication | 5522 - 5531 |
a | 18.7766 ± 0.0005 Å |
b | 12.825 ± 0.0003 Å |
c | 11.6171 ± 0.0003 Å |
α | 90° |
β | 109.073 ± 0.001° |
γ | 90° |
Cell volume | 2643.94 ± 0.12 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 3 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.049 |
Residual factor for significantly intense reflections | 0.0427 |
Weighted residual factors for significantly intense reflections | 0.1046 |
Weighted residual factors for all reflections included in the refinement | 0.1101 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7041533.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.