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Information card for entry 8101944
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| Coordinates | 8101944.cif |
|---|
| Chemical name | 1,3-bis(triphenylphosphonium)propane tetrakis(peroxo)tungstate tetrahydrate |
|---|---|
| Formula | C39 H44 O12 P2 W |
| Calculated formula | C39 H36 O12.001 P2 W |
| Title of publication | Crystal structure of 1,3-bis(triphenylphosphonium)propane tetrakis (peroxo)tungstate tetrahydrate, [C~3~H~6~{P(C~6~H~5~)~3~}~2~][WO~8~] · 4H~2~O |
| Authors of publication | Shi, X.-Y.; Wei, J.-F. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 2 |
| Pages of publication | 148 - 150 |
| a | 31.9854 ± 0.0012 Å |
| b | 13.3294 ± 0.0005 Å |
| c | 23.1584 ± 0.001 Å |
| α | 90° |
| β | 123.975 ± 0.002° |
| γ | 90° |
| Cell volume | 8187.9 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0729 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.0947 |
| Weighted residual factors for all reflections included in the refinement | 0.1051 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8101944.cif |
| 107948 | 2014-03-25 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101944.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101944.cif |
| 12683 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101944 via cif-deposit CGI script. |
8101944.cif |
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Users of the data should acknowledge the original authors of the
structural data.