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Information card for entry 2105069
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| Coordinates | 2105069.cif |
|---|---|
| Structure factors | 2105069.hkl |
| Original IUCr paper | HTML |
| Chemical name | pyridinium chlorochromate |
|---|---|
| Formula | C5 H6 Cl Cr N O3 |
| Calculated formula | C4.98 H6 Cl Cr N1.02 O3 |
| Title of publication | Structures and phase transitions in a new ferroelectric ‒ pyridinium chlorochromate ‒ studied by X-ray diffraction, DSC and dielectric methods |
| Authors of publication | Małuszyńska, Hanna; Czarnecki, Piotr; Czarnecka, Anna; Pajak, Zdzisław |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | 128 - 136 |
| a | 9.021 ± 0.002 Å |
| b | 9.021 ± 0.002 Å |
| c | 9.369 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 660.3 ± 0.3 Å3 |
| Cell temperature | 355 ± 0.2 K |
| Ambient diffraction temperature | 355 ± 0.2 K |
| Number of distinct elements | 6 |
| Space group number | 166 |
| Hermann-Mauguin space group symbol | R -3 m :H |
| Hall space group symbol | -R 3 2" |
| Residual factor for all reflections | 0.3315 |
| Residual factor for significantly intense reflections | 0.0723 |
| Weighted residual factors for significantly intense reflections | 0.1673 |
| Weighted residual factors for all reflections included in the refinement | 0.2681 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.75 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180909 (current) | 2016-04-02 | hkl/2/10/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10/50. |
2105069.cif 2105069.hkl |
| 176768 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2105069.cif 2105069.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2105069.cif 2105069.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. | 2105069.cif 2105069.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2105069.cif 2105069.hkl |
| 55416 | 2012-05-05 | cif/ Adding structures of 2105069, 2105070, 2105071, 2105072 via cif-deposit CGI script. |
2105069.cif |
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Users of the data should acknowledge the original authors of the
structural data.