Crystallography Open Database

Information card for entry 4088551

Preview

Coordinates	4088551.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C93 H96 B2 F25 N5 O Ru
Calculated formula	C87 H91 B2 F24 N5 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	13.5153 ± 0.0002 Å
b	17.5177 ± 0.0003 Å
c	21.2075 ± 0.0004 Å
α	112.376 ± 0.0018°
β	90.9046 ± 0.0014°
γ	97.4923 ± 0.0014°
Cell volume	4591.59 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0455
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0926
Weighted residual factors for all reflections included in the refinement	0.0963
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
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
237662 (current)	2019-11-24	cif/ Adding structures of 4088548, 4088549, 4088550, 4088551, 4088552, 4088553 via cif-deposit CGI script.	4088551.cif