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Information card for entry 1561231
Preview
| Coordinates | 1561231.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H14 Fe2 N O13 |
|---|---|
| Calculated formula | C8.0002 H6 Fe2 N1.0002 O13.0002 |
| Title of publication | Synthesis, magnetic and vibrational properties of two novel mixed-valence iron(II)-iron(III) formate frameworks |
| Authors of publication | Mączka, Mirosław; Kucharska, Edyta; Gągor, Anna; Pikul, Adam; Hanuza, Jerzy |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2018 |
| Journal volume | 258 |
| Pages of publication | 163 - 169 |
| a | 8.2317 ± 0.0002 Å |
| b | 8.2317 ± 0.0002 Å |
| c | 14.1998 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 833.28 ± 0.04 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 5 |
| Space group number | 163 |
| Hermann-Mauguin space group symbol | P -3 1 c |
| Hall space group symbol | -P 3 2c |
| Residual factor for all reflections | 0.0913 |
| Residual factor for significantly intense reflections | 0.0842 |
| Weighted residual factors for all reflections | 0.0731 |
| Weighted residual factors for significantly intense reflections | 0.0726 |
| Goodness-of-fit parameter for all reflections | 1.52 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263292 (current) | 2021-03-24 | cif/ Adding structures of 1561231 via cif-deposit CGI script. |
1561231.cif |
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Users of the data should acknowledge the original authors of the
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