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Information card for entry 4115717
Preview
Coordinates | 4115717.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H39 Cl F6 Fe P3 |
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Calculated formula | C36 H39 Cl F6 Fe P3 |
Title of publication | Theoretical, Thermodynamic, Spectroscopic, and Structural Studies of the Consequences of One-Electron Oxidation on the Fe-X Bonds in 17- and 18-Electron Cp*Fe(dppe)X Complexes (X = F, Cl, Br, I, H, CH3) |
Authors of publication | Mats Tilset; Irene Fjeldahl; Jean-René Hamon; Paul Hamon; Loïc Toupet; Jean-Yves Saillard; Karine Costuas; Anthony Haynes |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2001 |
Journal volume | 123 |
Pages of publication | 9984 - 10000 |
a | 12.763 ± 0.003 Å |
b | 13.877 ± 0.007 Å |
c | 19.551 ± 0.007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3463 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.1024 |
Residual factor for significantly intense reflections | 0.053 |
Weighted residual factors for significantly intense reflections | 0.1453 |
Weighted residual factors for all reflections included in the refinement | 0.177 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
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/4115717.html
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