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Information card for entry 4071904
Preview
| Coordinates | 4071904.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H34 Br Cl P2 Pt S |
|---|---|
| Calculated formula | C42 H34 Br Cl P2 Pt S |
| SMILES | [Pt](Cl)(Sc1c(Br)cccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Insertion of Alkynes into an ArS−Pt Bond: Regio- and Stereoselective Thermal Reactions, Facilitation by “o-Halogen Effect” and Photoirradiation, Different Alkyne Preferences Depending on the Ancillary Ligand, and Application to a Catalytic Reaction |
| Authors of publication | Kuniyasu, Hitoshi; Takekawa, Kazunobu; Yamashita, Fumikazu; Miyafuji, Kiyoshi; Asano, Shigehito; Takai, Yasutomo; Ohtaka, Atsushi; Tanaka, Aoi; Sugoh, Kunihiko; Kurosawa, Hideo; Kambe, Nobuaki |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 18 |
| Pages of publication | 4788 |
| a | 9.1621 ± 0.0003 Å |
| b | 11.634 ± 0.0003 Å |
| c | 20.201 ± 0.0005 Å |
| α | 83.907 ± 0.0008° |
| β | 77.3 ± 0.001° |
| γ | 74.767 ± 0.001° |
| Cell volume | 2024.1 ± 0.1 Å3 |
| Cell temperature | 203.2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for all reflections included in the refinement | 0.1511 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.548 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4071904.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071904.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071904.cif |
| 44105 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071904 via cif-deposit CGI script. |
4071904.cif |
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Users of the data should acknowledge the original authors of the
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