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Information card for entry 8103364
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| Coordinates | 8103364.cif |
|---|
| Formula | C42 H72.56 Hg N2 O6.28 S4 |
|---|---|
| Calculated formula | C42 H72.568 Hg N2 O6.284 S4 |
| Title of publication | Crystal structure of bis(tetrabutylammonium) bis(1,2,3-trioxocyclopent-4-ene-4,5-dithiolato-S,S')mercury(II) — water (1:0.28), [N(C4H9)4]2[Hg(C5O3S2)2] · 0.28H2O |
| Authors of publication | Xi-Man Zhang; Ping Li; Hai Wang; Hong-Yu Chen |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2012 |
| Journal volume | 227 |
| Journal issue | 2 |
| Pages of publication | 230 |
| a | 9.787 ± 0.005 Å |
| b | 14.999 ± 0.005 Å |
| c | 17.342 ± 0.005 Å |
| α | 74.973 ± 0.005° |
| β | 87.124 ± 0.005° |
| γ | 87.609 ± 0.005° |
| Cell volume | 2454.5 ± 1.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0779 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for significantly intense reflections | 0.0673 |
| Weighted residual factors for all reflections included in the refinement | 0.0725 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288505 (current) | 2023-12-22 | Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name. |
8103364.cif |
| 211175 | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8103364.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
8103364.cif |
| 62125 | 2012-07-07 | cif/ Adding structures of 8103364 via cif-deposit CGI script. |
8103364.cif |
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Users of the data should acknowledge the original authors of the
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