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Information card for entry 1529426
Preview
| Coordinates | 1529426.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Tris[(1,2-bis{diphenylphosphinoethane}platinum(II)]cyclotricatechylene dihydrate dimethylacetamide (2/1.3) methanol (1/0.5) solvate |
|---|---|
| Formula | C104.7 H101.78 N1.3 O9.84 P6 Pt3 |
| Calculated formula | C104.7 H97.7 N1.3 O9.84 P6 Pt3 |
| Title of publication | Platinum(ii) complexes of mixed-valent radicals derived from cyclotricatechylene, a macrocyclic tris-dioxolene |
| Authors of publication | Loughrey, Jonathan J.; Patmore, Nathan J.; Baldansuren, Amgalanbaatar; Fielding, Alistair J.; McInnes, Eric J. L.; Hardie, Michaele J.; Sproules, Stephen; Halcrow, Malcolm A. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 12 |
| Pages of publication | 6935 |
| a | 14.86 ± 0.003 Å |
| b | 23.898 ± 0.005 Å |
| c | 15.103 ± 0.003 Å |
| α | 90° |
| β | 98.87 ± 0.03° |
| γ | 90° |
| Cell volume | 5299.3 ± 1.9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0625 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.1255 |
| Weighted residual factors for all reflections included in the refinement | 0.1373 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.6998 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
1529426.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1529426.cif |
| 170970 | 2015-12-09 | cif/ Updating files of 1529425, 1529426 Original log message: Adding full bibliography for 1529425--1529426.cif. |
1529426.cif |
| 153562 | 2015-08-21 | cif/ Adding structures of 1529425, 1529426 via cif-deposit CGI script. |
1529426.cif |
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