Crystallography Open Database

Information card for entry 7130271

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Coordinates	7130271.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H14 F7 P Ru
Calculated formula	C13 H14 F7 P Ru
Title of publication	Enolate SNAr of unactivated arenes via [(η6-arene)RuCp]+ intermediates
Authors of publication	Williams, Luke J.; Bhonoah, Yunas; Walton, James W.
Journal of publication	Chemical Communications
Year of publication	2022
a	7.029 ± 0.0002 Å
b	15.3782 ± 0.0005 Å
c	13.947 ± 0.0005 Å
α	90°
β	103.062 ± 0.0012°
γ	90°
Cell volume	1468.57 ± 0.08 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
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	0.0276
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.0552
Weighted residual factors for all reflections included in the refinement	0.0565
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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