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Information card for entry 4125825
Preview
Coordinates | 4125825.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8 H7 F3 Fe0.5 N0.5 O3 S |
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Calculated formula | C8 H7 F3 Fe0.5 N0.5 O3 S |
Title of publication | Controlling Near-Infrared Chromophore Electronic Properties through Metal-Ligand Orbital Alignment. |
Authors of publication | Mews, Nicole M.; Berkefeld, Andreas; Hörner, Gerald; Schubert, Hartmut |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 7 |
Pages of publication | 2808 - 2815 |
a | 10.6185 ± 0.0002 Å |
b | 13.687 ± 0.0003 Å |
c | 7.4015 ± 0.0002 Å |
α | 90° |
β | 108.19 ± 0.001° |
γ | 90° |
Cell volume | 1021.94 ± 0.04 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 | 0.028 |
Residual factor for significantly intense reflections | 0.0276 |
Weighted residual factors for significantly intense reflections | 0.064 |
Weighted residual factors for all reflections included in the refinement | 0.0642 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.253 |
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/4125825.html
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structural data.