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Information card for entry 4118667
Preview
Coordinates | 4118667.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | Cr H12 N3 O8 |
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Calculated formula | Cr H14 N3 O8 |
SMILES | [NH4+].[NH4+].[Cr]1234(OO1)(OO2)(OO3)OO4.[NH4+] |
Title of publication | Elucidating the Mechanism of Multiferroicity in (NH4)3Cr(O2)4 and Its Tailoring by Alkali Metal Substitution |
Authors of publication | Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Naresh S. Dalal |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2012 |
Journal volume | 134 |
Pages of publication | 15953 - 15962 |
a | 6.9951 ± 0.0012 Å |
b | 6.9951 ± 0.0012 Å |
c | 8.028 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 392.82 ± 0.18 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 4 |
Space group number | 121 |
Hermann-Mauguin space group symbol | I -4 2 m |
Hall space group symbol | I -4 2 |
Residual factor for all reflections | 0.0247 |
Residual factor for significantly intense reflections | 0.0247 |
Weighted residual factors for significantly intense reflections | 0.0621 |
Weighted residual factors for all reflections included in the refinement | 0.0621 |
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 | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4118667.html
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Users of the data should acknowledge the original authors of the
structural data.