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Information card for entry 4086352
Preview
| Coordinates | 4086352.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | PNP(iPr)Y(H)2Ru(C5Me5)PPh2(CH2CHPhCNCH3)(C4H10O) |
|---|---|
| Formula | C61 H88 N2 O P3 Ru Y |
| Calculated formula | C61 H88 N2 O P3 Ru Y |
| SMILES | C1C(c2ccccc2)N(C)[Y]23([P](c4c(ccc(c4)C)N3c3c(cc(cc3)C)[P]2(C(C)C)C(C)C)(C(C)C)C(C)C)[RuH2]2345([c]6([c]5([c]4([c]3([c]26C)C)C)C)C)[P]1(c1ccccc1)c1ccccc1.C(C)OCC |
| 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 | 14.8425 ± 0.001 Å |
| b | 17.5448 ± 0.0011 Å |
| c | 23.6853 ± 0.0016 Å |
| α | 90° |
| β | 104.871 ± 0.003° |
| γ | 90° |
| Cell volume | 5961.3 ± 0.7 Å3 |
| Cell temperature | 163 ± 2 K |
| Ambient diffraction temperature | 163 ± 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 | 0.0587 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for significantly intense reflections | 0.072 |
| Weighted residual factors for all reflections included in the refinement | 0.079 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| 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. |
4086352.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. |
4086352.cif |
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Users of the data should acknowledge the original authors of the
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