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Information card for entry 7024900
Preview
| Coordinates | 7024900.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C86 H77 B N2 O3 P2 Zn |
|---|---|
| Calculated formula | C86 H77 B N2 O3 P2 Zn |
| SMILES | [Zn]12([N](=P(c3c4oc5c(c4ccc3)cccc5P(=[N]1c1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cc(cc1C)C)C)[O]=C(O2)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1 |
| Title of publication | Cationic organozinc complexes of a bis(phosphinimine) pincer ligand: synthesis, structural and polymerization studies. |
| Authors of publication | Wheaton, Craig A.; Hayes, Paul G. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 16 |
| Pages of publication | 3861 - 3869 |
| a | 17.8781 ± 0.0011 Å |
| b | 21.6874 ± 0.0013 Å |
| c | 19.8464 ± 0.0012 Å |
| α | 90° |
| β | 101.083 ± 0.001° |
| γ | 90° |
| Cell volume | 7551.5 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.1138 |
| Residual factor for significantly intense reflections | 0.062 |
| Weighted residual factors for significantly intense reflections | 0.1378 |
| Weighted residual factors for all reflections included in the refinement | 0.1544 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| 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. |
7024900.cif |
| 179954 | 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 7/02/49. |
7024900.cif |
| 92731 | 2014-01-12 | cif/ Adding structures of 7024899, 7024900, 7024901 via cif-deposit CGI script. |
7024900.cif |
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Users of the data should acknowledge the original authors of the
structural data.