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Information card for entry 1515561
Preview
| Coordinates | 1515561.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Rh(eta(6)-Ph,eta(2)-Ph'-P(C[CPh2]O)3Nb(N[Np]Ar)3 |
|---|---|
| Formula | C92.5 H122 N3 Nb O5 P Rh |
| Calculated formula | C91.509 H112.036 N3 Nb O4.991 P Rh |
| SMILES | [Rh]12345678[P]9%10C(=C([C]%114=[CH]1C=CC=C%11)c1ccccc1)O[Nb](OC%10=C(c1ccccc1)c1ccccc1)(OC9=C([c]12[cH]3[cH]8[cH]5[cH]7[cH]61)c1ccccc1)(N(CC(C)(C)C)c1cc(cc(c1)C)C)(N(CC(C)(C)C)c1cc(cc(c1)C)C)N(CC(C)(C)C)c1cc(cc(c1)C)C.O1CCCC1.O1CCCC1.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 | 23.3525 ± 0.0016 Å |
| b | 15.0941 ± 0.001 Å |
| c | 25.0969 ± 0.0017 Å |
| α | 90° |
| β | 115.147 ± 0.001° |
| γ | 90° |
| Cell volume | 8007.8 ± 0.9 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0582 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.097 |
| Weighted residual factors for all reflections included in the refinement | 0.1105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1515561.cif |
| 111863 | 2014-04-28 | cif/ Adding structures of 1515558, 1515559, 1515560, 1515561, 1515562, 1515563, 1515564 via cif-deposit CGI script. |
1515561.cif |
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Users of the data should acknowledge the original authors of the
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