Crystallography Open Database

Information card for entry 4078880

Preview

Coordinates	4078880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H49 B F24 P2 Ru
Calculated formula	C76 H49 B F24 P2 Ru
Title of publication	Formation of (Alkenylphosphonio)phenylruthenium Complexes from Diphenylacetylene and a [CpRu(dppm)] Cation: Experimental Evidence for the Equilibrium between η1-Disubstituted Vinylidene and η2-Internal Alkyne
Authors of publication	Mutoh, Yuichiro; Kimura, Yusuke; Ikeda, Yousuke; Tsuchida, Noriko; Takano, Keiko; Ishii, Youichi
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	14
Pages of publication	5150
a	16.69 ± 0.002 Å
b	18.527 ± 0.002 Å
c	24.597 ± 0.003 Å
α	69.419 ± 0.004°
β	84.293 ± 0.005°
γ	78.708 ± 0.005°
Cell volume	6978.6 ± 1.4 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for all reflections included in the refinement	0.1594
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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
178677 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/88.	4078880.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078880.cif
66425	2012-09-09	cif/ Adding structures of 4078878, 4078879, 4078880, 4078881 via cif-deposit CGI script.	4078880.cif