Crystallography Open Database

Information card for entry 7112957

Preview

Coordinates	7112957.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H33 F6 N4 P Ru
Calculated formula	C26 H33 F6 N4 P Ru
Title of publication	The hydrogenation of molecules with polar bonds catalyzed by a ruthenium(II) complex bearing a chelating N-heterocyclic carbene with a primary amine donor.
Authors of publication	O, Wylie W N; Lough, Alan J.; Morris, Robert H.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	43
Pages of publication	8240 - 8242
a	12.973 ± 0.001 Å
b	13.1208 ± 0.0007 Å
c	17.147 ± 0.0014 Å
α	73.954 ± 0.004°
β	73.396 ± 0.003°
γ	88.187 ± 0.004°
Cell volume	2684.5 ± 0.3 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 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	0.165
Residual factor for significantly intense reflections	0.0854
Weighted residual factors for significantly intense reflections	0.2046
Weighted residual factors for all reflections included in the refinement	0.2473
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

Version history

Revision	Date	Message	Files
180243 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/29.	7112957.cif
112183	2014-04-30	cif/ Adding structures of 7112956, 7112957 via cif-deposit CGI script.	7112957.cif