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Information card for entry 7120340
Preview
Coordinates | 7120340.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H72 Fe Li2 O10 Si4 |
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Calculated formula | C64 H72 Fe Li2 O10 Si4 |
Title of publication | A High-Spin Square Planar Iron(II)-Siloxide and its Tetrahedral Allogon ‒ Structural and Spectroscopic Models of Fe-Zeolite Sites |
Authors of publication | Limberg, Christian; Pinkert, Denise; Keck, Matthias; Ghassemi Tabrizi, Shadan; Beckmann, Fabian; Braun, Beatrice; Herwig, Christian; Kaupp, Martin |
Journal of publication | Chem. Commun. |
Year of publication | 2017 |
a | 12.7108 ± 0.0004 Å |
b | 12.8539 ± 0.0004 Å |
c | 21.7124 ± 0.0007 Å |
α | 82.518 ± 0.002° |
β | 80.847 ± 0.002° |
γ | 62.515 ± 0.001° |
Cell volume | 3100.44 ± 0.17 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.064 |
Residual factor for significantly intense reflections | 0.0447 |
Weighted residual factors for significantly intense reflections | 0.1075 |
Weighted residual factors for all reflections included in the refinement | 0.1159 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
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/7120340.html
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Users of the data should acknowledge the original authors of the
structural data.