Crystallography Open Database

Information card for entry 1518853

Preview

Coordinates	1518853.cif

Structure parameters

Formula	C43 H28 Cl7 F24 N4 O5 Ru2
Calculated formula	C43 H28 Cl7 F24 N4 O5 Ru2
SMILES	[Ru]1234([Ru]([O]=C(O1)C)(OC(=[O]2)C)([O]=C(C)C)(N(C=[N]3c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N(C=[N]4c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cl.ClC(Cl)Cl.ClC(Cl)Cl
Title of publication	Synthesis, structures, and properties of lantern-type dinuclear ruthenium(II,III) complexes cis-[Ru2{3,5-(CF3)2-pf}2(O2CMe)2Cl] and [Ru2{3,5-(CF3)2-pf}3(O2CMe)Cl], 3,5-(CF3)2-pf- = N,N'-bis[3,5-bis(trifluoromethyl)phenyl]formamidinate anion
Authors of publication	Yasuko Harada; Takahisa Ikeue; Yuki Ide; Yuko Kimura; Ichiro Hiromitsu; Daisuke Yoshioka; Masahiro Mikuriya; Yusuke Kataoka; Makoto Handa
Journal of publication	Inorganica Chimica Acta
Year of publication	2015
Journal volume	424
Pages of publication	186 - 193
a	17.824 ± 0.003 Å
b	17.216 ± 0.003 Å
c	19.753 ± 0.003 Å
α	90°
β	114.089 ± 0.003°
γ	90°
Cell volume	5533.5 ± 1.6 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	7
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	0.1213
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	0.74
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518853.cif
133934	2015-03-15	cif/ Adding structures of 1518853 via cif-deposit CGI script.	1518853.cif