Crystallography Open Database

Information card for entry 1512667

Preview

Coordinates	1512667.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H60 Cl5 N O2 P4 Ru2 S2
Calculated formula	C51 H60 Cl5 N O2 P4 Ru2 S2
SMILES	[Ru]12([S]3[Ru]([S]1=P(N=P3(C(C)C)C(C)C)(C(C)C)C(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)([Cl]2)C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)C#[O].ClCCl
Title of publication	Mutual transformation between mono- and binuclear ruthenium complexes and their reactions with iminobis(diisopropylphosphinesulfide) ligand
Authors of publication	Ai-Quan Jia; Qing Ma; Hua-Tian Shi; Qun Chen; Wa-Hung Leung; Qian-Feng Zhang
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	392
Pages of publication	99 - 102
a	10.757 ± 0.006 Å
b	14.895 ± 0.008 Å
c	18.091 ± 0.01 Å
α	90.705 ± 0.006°
β	100.433 ± 0.006°
γ	92.931 ± 0.005°
Cell volume	2846 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0353
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0741
Weighted residual factors for all reflections included in the refinement	0.0832
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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.	1512667.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512667.cif
89923	2013-11-15	cif/ Adding structures of 1512667 via cif-deposit CGI script.	1512667.cif