Crystallography Open Database

Information card for entry 4072308

Preview

Coordinates	4072308.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H49 Cl2 O P Ru2 S
Calculated formula	C32 H49 Cl2 O P Ru2 S
SMILES	[Ru]123456([Ru]789%10(Cl)([S]1c1ccccc1)([P]2(C)C)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)(Cl)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C.O1CCCC1
Title of publication	Synthesis and Reactivity of Hybrid Phosphido- and Thiolato-Bridged Diruthenium Complexes
Authors of publication	Miyake, Yoshihiro; Endo, Satoshi; Yuki, Masahiro; Tanabe, Yoshiaki; Nishibayashi, Yoshiaki
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	22
Pages of publication	6039
a	10.5851 ± 0.0004 Å
b	12.3136 ± 0.0007 Å
c	13.1597 ± 0.0007 Å
α	78.4177 ± 0.0017°
β	81.6515 ± 0.0015°
γ	89.9665 ± 0.0016°
Cell volume	1661.79 ± 0.14 Å³
Cell temperature	173.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.022
Weighted residual factors for all reflections included in the refinement	0.0494
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4072308.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072308.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072308.cif
44344	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072307, 4072308 via cif-deposit CGI script.	4072308.cif