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Information card for entry 7010182
Preview
| Coordinates | 7010182.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C74 H62 O3 P4 S4 |
|---|---|
| Calculated formula | C74 H62 O3 P4 S4 |
| SMILES | P(=O)(C(=S)[S-])(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O |
| Title of publication | Lead(IV) complexes with phosphinoyldithioformates, R2P(O)CS2− (R = Ph or PhCH2). Syntheses and characterization. Crystal structures of [PPh4][S2CP(O)Ph2]·0.5H2O, [PbPh2{S2CP(O)Ph2}2] and [PbPh2Cl{S2CP(O)Ph2}] |
| Authors of publication | Ólafsson, Sigurjón Norberg; Flensburg, Claus; Andersen, Peter |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 23 |
| Pages of publication | 4360 |
| a | 9.1216 ± 0.0014 Å |
| b | 41.242 ± 0.008 Å |
| c | 9.3324 ± 0.0012 Å |
| α | 90° |
| β | 117.221 ± 0.011° |
| γ | 90° |
| Cell volume | 3122 ± 0.9 Å3 |
| Cell temperature | 122 ± 1 K |
| Ambient diffraction temperature | 122 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0303 |
| Residual factor for significantly intense reflections | 0.0294 |
| Weighted residual factors for significantly intense reflections | 0.0731 |
| Weighted residual factors for all reflections included in the refinement | 0.0735 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.887 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7010182.cif |
| 179805 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/01. |
7010182.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010182.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010182.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010182.cif |
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