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Information card for entry 4065167
Preview
Coordinates | 4065167.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H36 F12 Fe N2 O2 P2 |
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Calculated formula | C31 H36 F12 Fe N2 O2 P2 |
Title of publication | Ferrocenyl Diquat Derivatives: Nonlinear Optical Activity, Multiple Redox States, and Unusual Reactivity |
Authors of publication | Coe, Benjamin J.; Fielden, John; Foxon, Simon P.; Asselberghs, Inge; Clays, Koen; Van Cleuvenbergen, Stijn; Brunschwig, Bruce S. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 21 |
Pages of publication | 5731 |
a | 19.543 ± 0.002 Å |
b | 9.079 ± 0.001 Å |
c | 20.569 ± 0.002 Å |
α | 90° |
β | 111.99 ± 0.01° |
γ | 90° |
Cell volume | 3384.1 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0901 |
Residual factor for significantly intense reflections | 0.0433 |
Weighted residual factors for significantly intense reflections | 0.0795 |
Weighted residual factors for all reflections included in the refinement | 0.0862 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.816 |
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/4065167.html
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