Crystallography Open Database

Information card for entry 4082070

4082069 << 4082070 >> 4082071

Preview

Coordinates	4082070.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H10 Br2 O6 Ru2 S2
Calculated formula	C18 H10 Br2 O6 Ru2 S2
SMILES	C(#[O])[Ru]1(C#[O])(C#[O])([S](c2ccccc2)[Ru](C#[O])(C#[O])(C#[O])([S]1c1ccccc1)Br)Br
Title of publication	One-Pot Synthesis of Ruthenium Metallacycles via Oxidative Addition of Diaryldichalcogen and Halogen across a Ru‒Ru Bond
Authors of publication	Nagarajaprakash, R.; Ramakrishna, Buthanapalli; Mahesh, K.; Mobin, Shaikh M.; Manimaran, Bala.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	24
Pages of publication	7292
a	10.9194 ± 0.0003 Å
b	18.5213 ± 0.0005 Å
c	11.7728 ± 0.0003 Å
α	90°
β	97.662 ± 0.002°
γ	90°
Cell volume	2359.69 ± 0.11 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0401
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0756
Weighted residual factors for all reflections included in the refinement	0.0795
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178709 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/20.	4082070.cif
92153	2014-01-12	cif/ Adding structures of 4082070, 4082071, 4082072, 4082073, 4082074, 4082075, 4082076 via cif-deposit CGI script.	4082070.cif