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Information card for entry 4070740
Preview
| Coordinates | 4070740.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H57 B Br2 Fe P2 Pt |
|---|---|
| Calculated formula | C36 H57 B Br2 Fe P2 Pt |
| SMILES | [Pt]1(B(Br)[c]23[cH]4[Fe]56789%102([cH]4[cH]5[cH]36)[cH]2[cH]7[cH]8[cH]9[cH]%102)(Br)[P](CC[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1 |
| Title of publication | Conversion oftrans-Bromoboryl Platinum Complexes into theircis-Analogues upon Treatment with Chelating Bisphosphines |
| Authors of publication | Braunschweig, Holger; Leech, Ralph; Rais, Daniela; Radacki, Krzysztof; Uttinger, Katharina |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 3 |
| Pages of publication | 418 |
| a | 12.1129 ± 0.0008 Å |
| b | 14.2546 ± 0.0009 Å |
| c | 21.6898 ± 0.0015 Å |
| α | 90° |
| β | 92.097 ± 0.003° |
| γ | 90° |
| Cell volume | 3742.6 ± 0.4 Å3 |
| Cell temperature | 98 ± 2 K |
| Ambient diffraction temperature | 98 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0422 |
| Residual factor for significantly intense reflections | 0.0297 |
| Weighted residual factors for significantly intense reflections | 0.0695 |
| Weighted residual factors for all reflections included in the refinement | 0.0772 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178596 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/07. |
4070740.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070740.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070740.cif |
| 42668 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070740 via cif-deposit CGI script. |
4070740.cif |
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Users of the data should acknowledge the original authors of the
structural data.