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Information card for entry 7240185
Preview
Coordinates | 7240185.cif |
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Original paper (by DOI) | HTML |
Formula | C4.5 H9.5 Fe N0.75 O6.25 |
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Calculated formula | C4.5 H3.5001 Fe N0.75 O6.25005 |
Title of publication | Static disorder in a perovskite mixed-valence metal‒organic framework |
Authors of publication | Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael |
Journal of publication | CrystEngComm |
Year of publication | 2020 |
a | 12.0121 ± 0.0009 Å |
b | 12.0121 ± 0.0009 Å |
c | 12.0121 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1733.2 ± 0.2 Å3 |
Cell temperature | 220 ± 0.4 K |
Ambient diffraction temperature | 220 ± 0.4 K |
Number of distinct elements | 5 |
Space group number | 204 |
Hermann-Mauguin space group symbol | I m -3 |
Hall space group symbol | -I 2 2 3 |
Residual factor for all reflections | 0.0416 |
Residual factor for significantly intense reflections | 0.0358 |
Weighted residual factors for significantly intense reflections | 0.0891 |
Weighted residual factors for all reflections included in the refinement | 0.0933 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
249690 (current) | 2020-03-25 | cif/ Adding structures of 7240176, 7240177, 7240178, 7240179, 7240180, 7240181, 7240182, 7240183, 7240184, 7240185, 7240186 via cif-deposit CGI script. |
7240185.cif |
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Users of the data should acknowledge the original authors of the
structural data.