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Information card for entry 4086343
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Coordinates | 4086343.cif |
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Original paper (by DOI) | HTML |
Common name | PNP(iPr)Ho(H)2Ru(C5Me5)PPh2(C6H4) |
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Formula | C54 H71 Ho N P3 Ru |
Calculated formula | C54 H71 Ho N P3 Ru |
SMILES | c12ccccc1[P](c1ccccc1)(c1ccccc1)[RuH2]1345([c]6([c]1([c]3([c]4([c]56C)C)C)C)C)[Ho]132N(c2ccc(cc2[P]1(C(C)C)C(C)C)C)c1c(cc(cc1)C)[P]3(C(C)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 | 11.337 ± 0.002 Å |
b | 14.764 ± 0.003 Å |
c | 18.072 ± 0.004 Å |
α | 84.277 ± 0.003° |
β | 75.917 ± 0.003° |
γ | 89.122 ± 0.003° |
Cell volume | 2919.2 ± 1 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 | 0.0416 |
Residual factor for significantly intense reflections | 0.0344 |
Weighted residual factors for significantly intense reflections | 0.0772 |
Weighted residual factors for all reflections included in the refinement | 0.0791 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.948 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4086343.html
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Users of the data should acknowledge the original authors of the
structural data.