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Information card for entry 1515564
Preview
| Coordinates | 1515564.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [(Ar[Np]N)3Nb(OC[CPh2])2P][Na(thf)] |
|---|---|
| Formula | C74.75 H97 N3 Na Nb O3 P |
| Calculated formula | C74.75 H97 N3 Na Nb O3 P |
| SMILES | Cc1cc(cc(c1)C)N([Nb]12([O]([Na]3[O]4CCCC4)C(=C(c4ccccc4)c4ccccc4)P2C(=C(c2ccccc2)c2ccccc2)[O]13)(N(c1cc(C)cc(c1)C)CC(C)(C)C)N(c1cc(C)cc(c1)C)CC(C)(C)C)CC(C)(C)C.CCCCC |
| Title of publication | A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes |
| Authors of publication | Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C. |
| Journal of publication | Chemical Science |
| Year of publication | 2011 |
| Journal volume | 2 |
| Journal issue | 11 |
| Pages of publication | 2166 |
| a | 23.715 ± 0.002 Å |
| b | 16.1639 ± 0.0013 Å |
| c | 19.4189 ± 0.0016 Å |
| α | 90° |
| β | 107.002 ± 0.001° |
| γ | 90° |
| Cell volume | 7118.5 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0659 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1156 |
| Weighted residual factors for all reflections included in the refinement | 0.131 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1515564.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1515564.cif |
| 111863 | 2014-04-28 | cif/ Adding structures of 1515558, 1515559, 1515560, 1515561, 1515562, 1515563, 1515564 via cif-deposit CGI script. |
1515564.cif |
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