Crystallography Open Database

Information card for entry 4088553

Preview

Coordinates	4088553.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C93 H88 B2 F24 N4 O3 Ru
Calculated formula	C93 H88 B2 F24 N4 O3 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	14.8189 ± 0.0001 Å
b	19.564 ± 0.0001 Å
c	30.6463 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	8884.88 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0762
Residual factor for significantly intense reflections	0.0747
Weighted residual factors for significantly intense reflections	0.1605
Weighted residual factors for all reflections included in the refinement	0.1613
Goodness-of-fit parameter for all reflections included in the refinement	3.18
Diffraction radiation probe	X-rays-AND-NEUTRONS
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	4088553.cif