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Information card for entry 4080718
Preview
Coordinates | 4080718.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C57 H71 N O2 P2 Ru |
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Calculated formula | C57 H71 N O2 P2 Ru |
SMILES | [Ru]12(C#[O])(C#[O])[P](=C(c3[n]2c(C(=[P]1c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)c1ccccc1)ccc3)c1ccccc1)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C |
Title of publication | Synthesis, Structures, and Reactivity of Ruthenium Complexes with PNP-pincer Type Phosphaalkene Ligands |
Authors of publication | Nakajima, Yumiko; Okamoto, Yuki; Chang, Yung-Hung; Ozawa, Fumiyuki |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 10 |
Pages of publication | 2918 |
a | 14.6958 ± 0.0009 Å |
b | 9.821 ± 0.0007 Å |
c | 18.2435 ± 0.0014 Å |
α | 90° |
β | 102.543 ± 0.004° |
γ | 90° |
Cell volume | 2570.2 ± 0.3 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.2128 |
Residual factor for significantly intense reflections | 0.1126 |
Weighted residual factors for significantly intense reflections | 0.1783 |
Weighted residual factors for all reflections included in the refinement | 0.2276 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.179 |
Diffraction radiation wavelength | 0.71075 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/4080718.html
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Users of the data should acknowledge the original authors of the
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