Crystallography Open Database

Information card for entry 7701854

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Coordinates	7701854.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H34 F9 P3 Ru
Calculated formula	C39 H34 F9 P3 Ru
Title of publication	Solvent- and anion-dependent rearrangement of fluorinated carbene ligands provides access to fluorinated alkenes
Authors of publication	Hall, Lewis; Milner, Lucy; Hart, Sam; Whitwood, Adrian Charles; Lynam, Jason Martin; Slattery, John M.
Journal of publication	Dalton Transactions
Year of publication	2019
a	20.7451 ± 0.0002 Å
b	9.9817 ± 0.0001 Å
c	17.2999 ± 0.0002 Å
α	90°
β	97.229 ± 0.001°
γ	90°
Cell volume	3553.84 ± 0.06 Å³
Cell temperature	110 ± 0.1 K
Ambient diffraction temperature	110 ± 0.1 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0198
Residual factor for significantly intense reflections	0.0191
Weighted residual factors for significantly intense reflections	0.0451
Weighted residual factors for all reflections included in the refinement	0.0455
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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