Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4116306
Preview
Coordinates | 4116306.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C81 H114 Cl2 Cr F6 Fe2 N6 O9 P S6 |
---|---|
Calculated formula | C81 H114 Cl2 Cr F6 Fe2 N6 O9 P S6 |
Title of publication | Electronic Structure of Linear Thiophenolate-Bridged Heterotrinuclear Complexes [LFeMFeL]n+ (M = Cr, Co, Fe; n= 1-3): Localized vs Delocalized Models |
Authors of publication | Thorsten Glaser; Thomas Beissel; Eckhard Bill; Thomas Weyhermüller; Volker Schünemann; Wolfram Meyer-Klaucke; Alfred X. Trautwein; Karl Wieghardt |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 1999 |
Journal volume | 121 |
Pages of publication | 2193 - 2208 |
a | 20.488 ± 0.004 Å |
b | 17.89 ± 0.004 Å |
c | 25.116 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 9206 ± 3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 10 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.1216 |
Residual factor for significantly intense reflections | 0.0631 |
Weighted residual factors for all reflections | 0.2147 |
Weighted residual factors for significantly intense reflections | 0.1671 |
Goodness-of-fit parameter for all reflections | 0.987 |
Goodness-of-fit parameter for significantly intense reflections | 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/4116306.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.