Crystallography Open Database

Information card for entry 4086399

Preview

Coordinates	4086399.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	μ-dinitrogen-<i>bis</i>-{(1,1'-dimethyl-3,3'-methylenedi-imidazoline-2,2'- diylidene)-(κ^3^ <i>N</i>,<i>N'</i>,<i>N"</i>-<i>tris</i>(pyrazolyl)borate}- ruthenium(II)} <i>bis</i>{<i>tetrakis</i>{3,5-bis(trifluoromethyl)phenyl}borate}
Formula	C50 H34 B2 F24 N11 Ru
Calculated formula	C50 H34 B2 F24 N11 Ru
Title of publication	Activation of Propargyl Alcohols by TpRu Complexes Bearing a Bidentate NHC Ligand
Authors of publication	Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	3
Pages of publication	388
a	13.13 ± 0.003 Å
b	29.612 ± 0.006 Å
c	14.798 ± 0.003 Å
α	90°
β	93.27 ± 0.03°
γ	90°
Cell volume	5744 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0733
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.1677
Weighted residual factors for all reflections included in the refinement	0.1753
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
177430 (current)	2016-03-04	cif/ Updating files of 4086399, 4086400 Original log message: Adding full bibliography for 4086399--4086400.cif.	4086399.cif
175298	2016-01-30	cif/ Adding structures of 4086399, 4086400 via cif-deposit CGI script.	4086399.cif