Crystallography Open Database

Information card for entry 4101407

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Coordinates	4101407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H51 Cl P2 Ru
Calculated formula	C24 H51 Cl P2 Ru
Title of publication	Carbene vs olefin products of C-H activation on ruthenium via competing alpha- and beta-H elimination.
Authors of publication	Kuznetsov, Vladimir F; Abdur-Rashid, Kamaluddin; Lough, Alan J; Gusev, Dmitry G
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Journal issue	44
Pages of publication	14388 - 14396
a	11.516 ± 0.0002 Å
b	15.5247 ± 0.0003 Å
c	15.4937 ± 0.0003 Å
α	90°
β	97.595 ± 0.001°
γ	90°
Cell volume	2745.7 ± 0.09 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 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	0.0431
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0773
Weighted residual factors for all reflections included in the refinement	0.0828
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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