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Information card for entry 7005804
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| Coordinates | 7005804.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | trihapto-allyl-bromide-allyldiphenylphosphine-nickel (ii) |
|---|---|
| Chemical name | trihapto-allyl-bromide-allyldiphenylphosphine-nickel (II) |
| Formula | C18 H20 Br Ni P |
| Calculated formula | C18 H20 Br Ni P |
| SMILES | [Ni]12(Br)([P](CC=C)(c3ccccc3)c3ccccc3)[CH2]=[CH]1C2 |
| Title of publication | Oligomerization and regioselective hydrosilylation of styrenes catalyzed by cationic allyl nickel complexes bearing allylphosphine ligands. |
| Authors of publication | Hyder, Iqbal; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 28 |
| Pages of publication | 3000 - 3009 |
| a | 11.461 ± 0.002 Å |
| b | 16.298 ± 0.003 Å |
| c | 18.029 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3367.7 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0468 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.0732 |
| Weighted residual factors for all reflections included in the refinement | 0.0773 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179762 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/58. |
7005804.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7005804.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7005804.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7005804.cif |
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Users of the data should acknowledge the original authors of the
structural data.