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Information card for entry 2018519
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| Coordinates | 2018519.cif |
|---|---|
| Structure factors | 2018519.hkl |
| Original IUCr paper | HTML |
| Common name | iron nitrate hexahydrate |
|---|---|
| Chemical name | hexaaquairon(III) trinitrate |
| Formula | Fe H12 N3 O15 |
| Calculated formula | Fe H12 N3 O15 |
| SMILES | [Fe]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-] |
| Title of publication | New iron(III) nitrate hydrates: Fe(NO~3~)~3~·<i>x</i>H~2~O with <i>x</i> = 4, 5 and 6 |
| Authors of publication | Schmidt, Horst; Asztalos, Annifrid; Bok, Frank; Voigt, Wolfgang |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 6 |
| Pages of publication | i29 - i33 |
| a | 13.7962 ± 0.0002 Å |
| b | 13.7962 ± 0.0002 Å |
| c | 13.7962 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2625.9 ± 0.07 Å3 |
| Cell temperature | 190 ± 2 K |
| Ambient diffraction temperature | 190 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 206 |
| Hermann-Mauguin space group symbol | I a -3 |
| Hall space group symbol | -I 2b 2c 3 |
| Residual factor for all reflections | 0.0338 |
| Residual factor for significantly intense reflections | 0.0278 |
| Weighted residual factors for significantly intense reflections | 0.0755 |
| Weighted residual factors for all reflections included in the refinement | 0.0814 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180854 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/85. |
2018519.cif 2018519.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018519.cif 2018519.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018519.cif 2018519.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018519.cif 2018519.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2018519.cif 2018519.hkl |
| 62008 | 2012-07-05 | cif/ Adding structures of 2018519, 2018520, 2018521 via cif-deposit CGI script. |
2018519.cif |
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