Crystallography Open Database

Information card for entry 4088548

Preview

Coordinates	4088548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H85 B F24 N4 O Ru
Calculated formula	C87 H85 B F24 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	12.441 ± 0.0002 Å
b	16.585 ± 0.0003 Å
c	21.628 ± 0.0004 Å
α	101.125 ± 0.001°
β	103.16 ± 0.001°
γ	92.71 ± 0.001°
Cell volume	4244.27 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0892
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.1626
Weighted residual factors for all reflections included in the refinement	0.1664
Goodness-of-fit parameter for significantly intense reflections	0
Goodness-of-fit parameter for all reflections included in the refinement	3.67
Diffraction radiation probe	X-rays-AND-NEUTRONS
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4088548.cif