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Information card for entry 2018525
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| Coordinates | 2018525.cif |
|---|---|
| Structure factors | 2018525.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4,4'-Bi(1<i>H</i>-pyrazol-2-ium) tetrachloridoaurate(III) chloride |
|---|---|
| Formula | C6 H8 Au Cl5 N4 |
| Calculated formula | C6 H8 Au Cl5 N4 |
| SMILES | c1c(c[nH+][nH]1)c1c[nH][nH+]c1.[Au](Cl)(Cl)(Cl)[Cl-].[Cl-] |
| Title of publication | 4,4'-Bi(1<i>H</i>-pyrazol-2-ium) tetrachloridoaurate(III) chloride: a three-dimensional cationic cooperite-like framework with multiple pyrazolium‒chloride hydrogen-bonding interactions |
| Authors of publication | Domasevitch, Konstantin V. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 7 |
| Pages of publication | m169 - m172 |
| a | 12.5768 ± 0.0008 Å |
| b | 16.0166 ± 0.0009 Å |
| c | 7.1617 ± 0.0005 Å |
| α | 90° |
| β | 110.533 ± 0.01° |
| γ | 90° |
| Cell volume | 1350.99 ± 0.17 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0293 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.0596 |
| Weighted residual factors for all reflections included in the refinement | 0.0603 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| 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. |
2018525.cif 2018525.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. |
2018525.cif 2018525.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018525.cif 2018525.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. | 2018525.cif 2018525.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2018525.cif 2018525.hkl |
| 63861 | 2012-08-10 | cif/ Adding structures of 2018525 via cif-deposit CGI script. |
2018525.cif |
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Users of the data should acknowledge the original authors of the
structural data.