Crystallography Open Database

Information card for entry 4130620

Preview

Coordinates	4130620.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89 H91 B F24 N4 O Ru Zn
Calculated formula	C89 H91 B F24 N4 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	16.96745 ± 0.00008 Å
b	25.70693 ± 0.0001 Å
c	20.56727 ± 0.00009 Å
α	90°
β	98.9877 ± 0.0004°
γ	90°
Cell volume	8860.91 ± 0.07 Å³
Cell temperature	150.01 ± 0.1 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0435
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1068
Weighted residual factors for all reflections included in the refinement	0.109
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

Version history

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