Crystallography Open Database

Information card for entry 4088550

Preview

Coordinates	4088550.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89 H95 B2 F24 N5 O Ru
Calculated formula	C89 H95 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	14.1539 ± 0.0003 Å
b	37.3721 ± 0.0008 Å
c	16.8357 ± 0.0003 Å
α	90°
β	91.631 ± 0.002°
γ	90°
Cell volume	8901.8 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0976
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1149
Weighted residual factors for all reflections included in the refinement	0.1284
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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.	4088550.cif