Crystallography Open Database

Information card for entry 4083332

Preview

Coordinates	4083332.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H46 B F15 P2 Ru
Calculated formula	C73 H46 B F15 P2 Ru
SMILES	[Ru]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)(=C=C(c5ccccc5)c5c(F)c(F)c([B](F)(c6c(F)c(F)c(F)c(F)c6F)c6c(F)c(F)c(F)c(F)c6F)c(F)c5F)[cH]5[cH]4[cH]3[cH]2[cH]15.c1ccccc1
Title of publication	Reactions of Ru-alkynyl Complexes with Electrophilic Boranes
Authors of publication	Boone, Michael P.; Stephan, Douglas W.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	20
Pages of publication	5537
a	11.7355 ± 0.0017 Å
b	16.195 ± 0.002 Å
c	17.148 ± 0.003 Å
α	94.811 ± 0.009°
β	99.771 ± 0.009°
γ	106.499 ± 0.009°
Cell volume	3049.3 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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 all reflections	0.1746
Residual factor for significantly intense reflections	0.0934
Weighted residual factors for significantly intense reflections	0.2119
Weighted residual factors for all reflections included in the refinement	0.2611
Goodness-of-fit parameter for all reflections included in the refinement	0.978
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
178722 (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 4/08/33.	4083332.cif
114288	2014-05-23	cif/ Adding structures of 4083332 via cif-deposit CGI script.	4083332.cif