Crystallography Open Database

Information card for entry 4081155

Preview

Coordinates	4081155.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H51 B F24 P2 Ru
Calculated formula	C76 H51 B F24 P2 Ru
SMILES	[Ru]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(=C=C(C)c1ccccc1)[cH]1[cH]2[cH]3[c]24[c]51cccc2.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Title of publication	Reactivities of Indenylruthenium Complex toward Internal Alkynes: Formation of Disubstituted Vinylidene Complexes and Indenyl‒Alkyne Coupling
Authors of publication	Ikeda, Yousuke; Mutoh, Yuichiro; Imai, Kohei; Tsuchida, Noriko; Takano, Keiko; Ishii, Youichi
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	15
Pages of publication	4353
a	13.581 ± 0.003 Å
b	20.354 ± 0.004 Å
c	24.761 ± 0.005 Å
α	90°
β	101.421 ± 0.002°
γ	90°
Cell volume	6709 ± 2 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for all reflections included in the refinement	0.1921
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178700 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/11.	4081155.cif
88014	2013-08-27	cif/ Adding structures of 4081152, 4081153, 4081154, 4081155, 4081156 via cif-deposit CGI script.	4081155.cif