Crystallography Open Database

Information card for entry 4088552

Preview

Coordinates	4088552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H90.5 B F25.5 N4 O Ru
Calculated formula	C90 H85.5 B F24.5 N4 O Ru
Title of publication	Isolation of [Ru(IPr)2(CO)H]+ (IPr = 1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene) and Reactivity toward E‒H (E = H, B) Bonds
Authors of publication	Riddlestone, Ian M.; McKay, David; Gutmann, Matthias J.; Macgregor, Stuart A.; Mahon, Mary F.; Sparkes, Hazel A.; Whittlesey, Michael K.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	9
Pages of publication	1301
a	43.3892 ± 0.0003 Å
b	16.38469 ± 0.00011 Å
c	12.67092 ± 0.00009 Å
α	90°
β	90°
γ	90°
Cell volume	9007.99 ± 0.11 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	7
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0262
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0633
Weighted residual factors for all reflections included in the refinement	0.0638
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
237662 (current)	2019-11-24	cif/ Adding structures of 4088548, 4088549, 4088550, 4088551, 4088552, 4088553 via cif-deposit CGI script.	4088552.cif