Crystallography Open Database

Information card for entry 2019446

2019445 << 2019446 >> 2019447

Preview

Coordinates	2019446.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Di-μ-perfluoroheptanoato-κ^4^<i>O</i>:<i>O</i>'-bis[dicarbonyl(dimethyl sulfoxide-κ<i>S</i>)ruthenium(I)](<i>Ru</i>‒<i>Ru</i>)
Formula	C22 H12 F26 O10 Ru2 S2
Calculated formula	C22 H12 F26 O10 Ru2 S2
Title of publication	Structure and catalytic activity of the ruthenium(I) sawhorse-type complex [Ru~2~{μ,η^2^-CF~3~(CF~2~)~5~COO}~2~(DMSO)~2~(CO)~4~]
Authors of publication	Zimmermann, Teresa K.; Haslinger, Stefan; Pöthig, Alexander; Kühn, Fritz E.
Journal of publication	Acta Crystallographica Section C
Year of publication	2014
Journal volume	70
Journal issue	4
Pages of publication	384 - 387
a	10.343 ± 0.0005 Å
b	14.1199 ± 0.0008 Å
c	25.301 ± 0.0013 Å
α	101.243 ± 0.003°
β	90.478 ± 0.002°
γ	90.83 ± 0.002°
Cell volume	3623.5 ± 0.3 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 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	0.0368
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0492
Weighted residual factors for all reflections included in the refinement	0.0533
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
176760 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2019446.cif
108743	2014-04-03	cif/ hkl/ Adding structures of 2019446 via cif-deposit CGI script.	2019446.cif