Crystallography Open Database

Information card for entry 4339759

Preview

Coordinates	4339759.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H96 Cl4 N6 O4 P4 Ru2 S2
Calculated formula	C114 H92 Cl4 N6 O4 P4 Ru2 S2
SMILES	s1c(C#C[Ru]23(OC(=N[N]3=Cc3[n]2cccc3)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)ccc1c1sc(C#C[Ru]23([n]4ccccc4C=[N]2N=C(O3)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.C(CCl)Cl.O.C(CCl)Cl.O
Title of publication	Wirelike dinuclear ruthenium complexes connected by bis(ethynyl)oligothiophene.
Authors of publication	Gao, Li-Bin; Kan, Jian; Fan, Yang; Zhang, Li-Yi; Liu, Sheng-Hua; Chen, Zhong-Ning
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	14
Pages of publication	5651 - 5664
a	10.33 ± 0.004 Å
b	13.537 ± 0.005 Å
c	19.439 ± 0.006 Å
α	81.008 ± 0.008°
β	82.97 ± 0.009°
γ	82.577 ± 0.007°
Cell volume	2647.9 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0934
Residual factor for significantly intense reflections	0.0671
Weighted residual factors for significantly intense reflections	0.2043
Weighted residual factors for all reflections included in the refinement	0.2376
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
179500 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/97.	4339759.cif
117524	2014-06-15	cif/ Adding structures of 4339759, 4339760, 4339761 via cif-deposit CGI script.	4339759.cif