Crystallography Open Database

Information card for entry 4078111

Preview

Coordinates	4078111.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H46 Cl3 P Ru2 S
Calculated formula	C32 H46 Cl3 P Ru2 S
SMILES	[Ru]1234567([Ru]89%10%11%12%13([S]1[C]9(=[CH]38)c1ccccc1)([P]2(C)C)[c]1([c]%10([c]%11([c]%12([c]%131C)C)C)C)C)[c]1([c]7([c]6([c]5([c]41C)C)C)C)C.[Cl-].ClCCCl
Title of publication	Synthesis and Reactivity of Hybrid Phosphido- and Hydrosulfido-Bridged Diruthenium Complexes: Transformations into Diruthenium and Tetraruthenium Complexes Bridged by Phosphido and Sulfido Ligands
Authors of publication	Miyake, Yoshihiro; Moriyama, Taichi; Tanabe, Yoshiaki; Endo, Satoshi; Nishibayashi, Yoshiaki
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	8
Pages of publication	3292
a	13.4501 ± 0.0005 Å
b	14.05 ± 0.0005 Å
c	19.3656 ± 0.0006 Å
α	90°
β	108.944 ± 0.0008°
γ	90°
Cell volume	3461.4 ± 0.2 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for all reflections included in the refinement	0.0705
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178670 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/81.	4078111.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078111.cif
57710	2012-05-18	cif/ Adding structures of 4078107, 4078108, 4078109, 4078110, 4078111, 4078112 via cif-deposit CGI script.	4078111.cif