Crystallography Open Database

Information card for entry 7701855

Preview

Coordinates	7701855.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H34.25 F6.53 P2.28 Ru Si0.73
Calculated formula	C39 H34.25 F6.52 P2.27 Ru Si0.73
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	12.4924 ± 0.0002 Å
b	15.7881 ± 0.0002 Å
c	17.8372 ± 0.0003 Å
α	90°
β	97.0299 ± 0.0014°
γ	90°
Cell volume	3491.61 ± 0.09 Å³
Cell temperature	110 ± 0.1 K
Ambient diffraction temperature	110 ± 0.1 K
Number of distinct elements	6
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	0.0412
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0932
Weighted residual factors for all reflections included in the refinement	0.0982
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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