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Information card for entry 4312168
Preview
| Coordinates | 4312168.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ana279 |
|---|---|
| Formula | C70 H34 F20 P2 Pt3 S2 |
| Calculated formula | C70 H34 F20 P2 Pt3 S2 |
| SMILES | [Pt]123[S]([Pt]4([C](#[C]4c4ccccc4)[P]3(c3ccccc3)c3ccccc3)(c3c(c(c(c(c3F)F)F)F)F)c3c(c(c(c(c3F)F)F)F)F)c3c([S]1[Pt]1([C](#[C]1c1ccccc1)[P]2(c1ccccc1)c1ccccc1)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)cccc3 |
| Title of publication | Alkynyldiphenylphosphine d8 (Pt, Rh, Ir) Complexes: Contrasting Behavior toward cis-[Pt(C6F5)2(THF)2] |
| Authors of publication | Jesús R. Berenguer; María Bernechea; Juan Forniés; Ana García; Elena Lalinde; M. Teresa Moreno |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 8185 - 8198 |
| a | 15.3996 ± 0.0003 Å |
| b | 15.7509 ± 0.0002 Å |
| c | 18.5369 ± 0.0004 Å |
| α | 107.125 ± 0.001° |
| β | 93.346 ± 0.001° |
| γ | 109.968 ± 0.001° |
| Cell volume | 3974.89 ± 0.13 Å3 |
| Cell temperature | 223 ± 1 K |
| Ambient diffraction temperature | 223 ± 1 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 | 0.058 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.1134 |
| Weighted residual factors for all reflections included in the refinement | 0.1252 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179160 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/21. |
4312168.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4312168.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4312168.cif |
| 3673 | 2010-11-16 | ../uploads/cif-deposit/cod/cif Adding structures of 4312168 via cif-deposit CGI script. |
4312168.cif |
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Users of the data should acknowledge the original authors of the
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