Crystallography Open Database

Information card for entry 4130621

Preview

Coordinates	4130621.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89 H92 B F24 N5 O Ru Zn
Calculated formula	C89 H92 B F24 N5 O Ru Zn
Title of publication	Activation of H2 over the Ru-Zn Bond in the Transition Metal-Lewis Acid Heterobimetallic Species [Ru(IPr)2(CO)ZnEt](.).
Authors of publication	Riddlestone, Ian M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	35
Pages of publication	11081 - 11084
a	21.04374 ± 0.00012 Å
b	20.82587 ± 0.00009 Å
c	22.77178 ± 0.00013 Å
α	90°
β	116.888 ± 0.0007°
γ	90°
Cell volume	8900.96 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	8
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	0.0419
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.1045
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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

Version history

Revision	Date	Message	Files
241014 (current)	2019-11-25	cif/ Adding structures of 4130618, 4130619, 4130620, 4130621 via cif-deposit CGI script.	4130621.cif