Crystallography Open Database

Information card for entry 4121761

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Coordinates	4121761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 F6 N3 P Ru
Calculated formula	C16 H22 F6 N3 P Ru
Title of publication	A highly active and air-stable ruthenium complex for the ambient temperature anti-markovnikov reductive hydration of terminal alkynes.
Authors of publication	Zeng, Mingshuo; Li, Le; Herzon, Seth B.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	19
Pages of publication	7058 - 7067
a	7.8206 ± 0.0003 Å
b	10.9688 ± 0.0004 Å
c	11.6123 ± 0.0004 Å
α	79.086 ± 0.002°
β	73.099 ± 0.002°
γ	81.272 ± 0.002°
Cell volume	930.9 ± 0.06 Å³
Cell temperature	186 ± 2 K
Ambient diffraction temperature	186 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0589
Weighted residual factors for all reflections included in the refinement	0.0607
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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