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Information card for entry 7241707
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7241707.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H20 Fe I2 N8 O2 |
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Calculated formula | C18 H20 Fe I2 N8 O2 |
Title of publication | The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines |
Authors of publication | Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir |
Journal of publication | CrystEngComm |
Year of publication | 2020 |
Journal volume | 22 |
Journal issue | 46 |
Pages of publication | 8142 - 8150 |
a | 8.8231 ± 0.0004 Å |
b | 11.0729 ± 0.0003 Å |
c | 13.2703 ± 0.0007 Å |
α | 90° |
β | 106.027 ± 0.005° |
γ | 90° |
Cell volume | 1246.08 ± 0.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.047 |
Residual factor for significantly intense reflections | 0.0301 |
Weighted residual factors for significantly intense reflections | 0.0637 |
Weighted residual factors for all reflections included in the refinement | 0.0661 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.872 |
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/7241707.html
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Users of the data should acknowledge the original authors of the
structural data.