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Information card for entry 1515560
Preview
| Coordinates | 1515560.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | (pyr)AgP(C[CPh2]O)3Nb(N[Np]Ar)3 |
|---|---|
| Formula | C96 H115 Ag N4 Nb O5.5 P |
| Calculated formula | C96 H115 Ag N4 Nb O5.5 P |
| SMILES | [Nb]12(OC([P]([Ag][n]3ccccc3)(C(O2)=C(c2ccccc2)c2ccccc2)C(=C(c2ccccc2)c2ccccc2)O1)=C(c1ccccc1)c1ccccc1)(N(c1cc(cc(c1)C)C)CC(C)(C)C)(N(c1cc(cc(c1)C)C)CC(C)(C)C)N(CC(C)(C)C)c1cc(cc(c1)C)C.O1CCCC1.O1CCCC1.O1CCCC1 |
| 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 | 27.086 ± 0.002 Å |
| b | 14.0697 ± 0.0011 Å |
| c | 24.79 ± 0.002 Å |
| α | 90° |
| β | 116.396 ± 0.001° |
| γ | 90° |
| Cell volume | 8462.3 ± 1.1 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 | 0.0897 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for significantly intense reflections | 0.1208 |
| Weighted residual factors for all reflections included in the refinement | 0.1391 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.969 |
| 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. |
1515560.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1515560.cif |
| 111863 | 2014-04-28 | cif/ Adding structures of 1515558, 1515559, 1515560, 1515561, 1515562, 1515563, 1515564 via cif-deposit CGI script. |
1515560.cif |
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Users of the data should acknowledge the original authors of the
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