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Information card for entry 4086354
Preview
| Coordinates | 4086354.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | PNP(iPr)Y(H)2Ru(C5Me5)PPh2(CH2CO)Rh(C5Me5)CO |
|---|---|
| Formula | C61 H84 N O2 P3 Rh Ru Y |
| Calculated formula | C61 H84 N O2 P3 Rh Ru Y |
| SMILES | C1C(=[O][Y]23(N(c4ccc(cc4[P]2(C(C)C)C(C)C)C)c2c(cc(cc2)C)[P]3(C(C)C)C(C)C)[RuH2]2345([c]6([c]2([c]3([c]4([c]56C)C)C)C)C)[P]1(c1ccccc1)c1ccccc1)[Rh]1234(C#[O])[c]5([c]1([c]2([c]3([c]45C)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 | 14.402 ± 0.0011 Å |
| b | 14.352 ± 0.0011 Å |
| c | 29.6397 ± 0.0019 Å |
| α | 90° |
| β | 90.978 ± 0.003° |
| γ | 90° |
| Cell volume | 6125.6 ± 0.8 Å3 |
| Cell temperature | 163 ± 2 K |
| Ambient diffraction temperature | 163 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0541 |
| Residual factor for significantly intense reflections | 0.0358 |
| Weighted residual factors for significantly intense reflections | 0.082 |
| Weighted residual factors for all reflections included in the refinement | 0.0888 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| 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. |
4086354.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. |
4086354.cif |
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Users of the data should acknowledge the original authors of the
structural data.