Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4326599
Preview
Coordinates | 4326599.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | FeCr2(dpa)4Cl(OTf)*2CH2Cl2 |
---|---|
Formula | C43 H36 Cl5 Cr2 F3 Fe N12 O3 S |
Calculated formula | C43 H36 Cl5 Cr2 F3 Fe N12 O3 S |
SMILES | [Cr]12345[Cr]678([n]9ccccc9N2c2[n]([Fe]1([n]1c(N3c3[n]6cccc3)cccc1)([n]1c(N4c3[n]7cccc3)cccc1)([n]1c(N5c3[n]8cccc3)cccc1)Cl)cccc2)OS(=O)(=O)C(F)(F)F.C(Cl)Cl.C(Cl)Cl |
Title of publication | Remote Effects of Axial Ligand Substitution in Heterometallic Cr\τbCr...M Chains |
Authors of publication | Michael Nippe; Yevgeniya Turov; John F. Berry |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 10592 - 10599 |
a | 18.9608 ± 0.0016 Å |
b | 16.9505 ± 0.0015 Å |
c | 15.6072 ± 0.0013 Å |
α | 90° |
β | 109.088 ± 0.001° |
γ | 90° |
Cell volume | 4740.3 ± 0.7 Å3 |
Cell temperature | 105 ± 2 K |
Ambient diffraction temperature | 105 ± 2 K |
Number of distinct elements | 9 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0511 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for significantly intense reflections | 0.1012 |
Weighted residual factors for all reflections included in the refinement | 0.1168 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.836 |
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/4326599.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.