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Information card for entry 1568706
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Coordinates | 1568706.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H24 Fe N2 O6 |
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Calculated formula | C24 H24 Fe N2 O6 |
Title of publication | Geometry-dependent valence tautomerism, magnetism, and electrical conductivity in 1D iron-tetraoxolene chains. |
Authors of publication | Kamin, Ashlyn A.; Moseley, Ian P.; Oh, Jeewhan; Brannan, E. J.; Gannon, Paige M.; Kaminsky, Werner; Zadrozny, Joseph M.; Xiao, Dianne J. |
Journal of publication | Chemical science |
Year of publication | 2023 |
Journal volume | 14 |
Journal issue | 15 |
Pages of publication | 4083 - 4090 |
a | 10.1118 ± 0.0012 Å |
b | 10.1118 ± 0.0012 Å |
c | 18.832 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 1667.6 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 144 |
Hermann-Mauguin space group symbol | P 31 |
Hall space group symbol | P 31 |
Residual factor for all reflections | 0.1232 |
Residual factor for significantly intense reflections | 0.0609 |
Weighted residual factors for significantly intense reflections | 0.0892 |
Weighted residual factors for all reflections included in the refinement | 0.1075 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
Diffraction radiation probe | x-ray |
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/1568706.html
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Users of the data should acknowledge the original authors of the
structural data.