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Information card for entry 4086351
Preview
| Coordinates | 4086351.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | PNP(iPr)Y(H)2Ru(C5Me5)PPh2(CH2CHCPhNH) |
|---|---|
| Formula | C56 H74 N2 P3 Ru Y |
| Calculated formula | C56 H74 N2 P3 Ru Y |
| SMILES | [CH]1(=[C]2(c3ccccc3)N[Y]34512N(c1ccc(cc1[P]4(C(C)C)C(C)C)C)c1c(cc(cc1)C)[P]5(C(C)C)C(C)C)[P](c1ccccc1)(c1ccccc1)[RuH2]12453[c]3([c]1([c]2([c]4([c]35C)C)C)C)C |
| Title of publication | PNP-Ligated Heterometallic Rare-Earth/Ruthenium Hydride Complexes Bearing Phosphinophenyl and Phosphinomethyl Bridging Ligands |
| Authors of publication | O, Wylie W. N.; Kang, Xiaohui; Luo, Yi; Hou, Zhaomin |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 4 |
| Pages of publication | 1030 - 1043 |
| a | 11.8932 ± 0.0016 Å |
| b | 11.9199 ± 0.0015 Å |
| c | 20.255 ± 0.003 Å |
| α | 86.46 ± 0.009° |
| β | 76.49 ± 0.008° |
| γ | 69.598 ± 0.008° |
| Cell volume | 2616.3 ± 0.6 Å3 |
| Cell temperature | 163 ± 2 K |
| Ambient diffraction temperature | 163 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0694 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.0943 |
| Weighted residual factors for all reflections included in the refinement | 0.1034 |
| 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 | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4086351.cif |
| 170612 | 2015-11-29 | cif/ Adding structures of 4086342, 4086343, 4086344, 4086345, 4086346, 4086347, 4086348, 4086349, 4086350, 4086351, 4086352, 4086353, 4086354, 4086355 via cif-deposit CGI script. |
4086351.cif |
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Users of the data should acknowledge the original authors of the
structural data.