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Information card for entry 7020805
Preview
| Coordinates | 7020805.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H52 Ni2 P2 S2 |
|---|---|
| Calculated formula | C30 H52 Ni2 P2 S2 |
| SMILES | c1ccc(cc1)[S]1[Ni]2([P](C(C)C)(C(C)C)C(C)C)[S](c3ccccc3)[Ni]12[P](C(C)C)(C(C)C)C(C)C |
| Title of publication | Synthesis and chemistry of bis(triisopropylphosphine) nickel(i) and nickel(0) precursors. |
| Authors of publication | Beck, Robert; Shoshani, Manar; Krasinkiewicz, Jonathan; Hatnean, Jillian A.; Johnson, Samuel A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 5 |
| Pages of publication | 1461 - 1475 |
| a | 12.394 ± 0.003 Å |
| b | 7.879 ± 0.0016 Å |
| c | 18.951 ± 0.006 Å |
| α | 90° |
| β | 116.72 ± 0.02° |
| γ | 90° |
| Cell volume | 1653 ± 0.8 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| 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 | 0.0606 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.0916 |
| Weighted residual factors for all reflections included in the refinement | 0.1232 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7020805.cif |
| 179913 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/08. |
7020805.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7020805.cif |
| 73673 | 2013-02-21 | cif/ Adding structures of 7020791, 7020792, 7020793, 7020794, 7020795, 7020796, 7020797, 7020798, 7020799, 7020800, 7020801, 7020802, 7020803, 7020804, 7020805 via cif-deposit CGI script. |
7020805.cif |
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Users of the data should acknowledge the original authors of the
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