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Information card for entry 4065053
Preview
Coordinates | 4065053.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H21 P |
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Calculated formula | C27 H21 P |
SMILES | P(=C1c2c(C=C1)cccc2)(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Synthesis, Structures, and Properties of the Phosphonium-1-indenylide (PHIN) Ligands 1-C9H6PPh3, 1-C9H6PMePh2, and 1-C9H6PMe2Ph and of the Corresponding Ruthenium(II) Complexes [Ru(η5-C5H5)(η5-PHIN)]PF6 |
Authors of publication | Fowler, Kevin G.; Littlefield, Shalyn L.; Baird, Michael C.; Budzelaar, Peter H. M. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 22 |
Pages of publication | 6098 |
a | 10.7916 ± 0.0014 Å |
b | 12.3946 ± 0.0016 Å |
c | 14.957 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2000.6 ± 0.5 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 3 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.042 |
Residual factor for significantly intense reflections | 0.0348 |
Weighted residual factors for significantly intense reflections | 0.0755 |
Weighted residual factors for all reflections included in the refinement | 0.0799 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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