Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4325589
Preview
Coordinates | 4325589.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C85 H48 F25 Fe O5 P2 |
---|---|
Calculated formula | C85 H48 F25 Fe O5 P2 |
SMILES | [Fe](Oc1c(F)c(F)c(F)c(F)c1F)(Oc1c(F)c(F)c(F)c(F)c1F)(Oc1c(F)c(F)c(F)c(F)c1F)(Oc1c(F)c(F)c(F)c(F)c1F)Oc1c(F)c(F)c(F)c(F)c1F.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)C |
Title of publication | Synthesis with Structural and Electronic Characterization of Homoleptic Fe(II)- and Fe(III)-Fluorinated Phenolate Complexes |
Authors of publication | Stefanie A. Cantalupo; Helen E. Ferreira; Eman Bataineh; Annie J. King; Montana V. Petersen; Teresa Wojtasiewicz; Antonio G. DiPasquale; Arnold L. Rheingold; Linda H. Doerrer |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 6584 - 6596 |
a | 15.2752 ± 0.0008 Å |
b | 15.882 ± 0.0009 Å |
c | 16.8909 ± 0.0009 Å |
α | 73.587 ± 0.001° |
β | 68.823 ± 0.001° |
γ | 88.268 ± 0.001° |
Cell volume | 3653.5 ± 0.3 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0603 |
Residual factor for significantly intense reflections | 0.0512 |
Weighted residual factors for significantly intense reflections | 0.1314 |
Weighted residual factors for all reflections included in the refinement | 0.1388 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
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/4325589.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.