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Information card for entry 4332282
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Coordinates | 4332282.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | phosphonium triflate |
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Chemical name | hydroxydiphenyl[2-(phenylazo)phenyl]phosphonium triflate |
Formula | C25 H20 F3 N2 O4 P S |
Calculated formula | C25 H20 F3 N2 O4 P S |
SMILES | [P+](c1ccccc1N=Nc1ccccc1)(O)(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F |
Title of publication | Systematic Study on the Structures and Reactivity of Hydrazobenzenes and Azobenzenes Bearing a Chalcogenophosphoryl Group |
Authors of publication | Yamamura, Masaki; Kano, Naokazu; Kawashima, Takayuki |
Journal of publication | Inorganic Chemistry |
Year of publication | 2006 |
Journal volume | 45 |
Journal issue | 16 |
Pages of publication | 6497 - 6507 |
a | 10.1017 ± 0.0005 Å |
b | 10.1017 ± 0.0005 Å |
c | 42.334 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 3741.2 ± 0.4 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 7 |
Space group number | 169 |
Hermann-Mauguin space group symbol | P 61 |
Hall space group symbol | P 61 |
Residual factor for all reflections | 0.04 |
Residual factor for significantly intense reflections | 0.0314 |
Weighted residual factors for significantly intense reflections | 0.0492 |
Weighted residual factors for all reflections included in the refinement | 0.0531 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.894 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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