Crystallography Open Database

Information card for entry 4082074

4082073 << 4082074 >> 4082075

Preview

Coordinates	4082074.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 Br2 O6 Ru2 Se2
Calculated formula	C20 H14 Br2 O6 Ru2 Se2
SMILES	C(#[O])[Ru]1(C#[O])(Br)([Se](Cc2ccccc2)[Ru](C#[O])(Br)(C#[O])(C#[O])[Se]1Cc1ccccc1)C#[O]
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	15.949 ± 0.0004 Å
b	18.4754 ± 0.0006 Å
c	8.9862 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2647.91 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0217
Residual factor for significantly intense reflections	0.0165
Weighted residual factors for significantly intense reflections	0.038
Weighted residual factors for all reflections included in the refinement	0.0387
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
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.	4082074.cif
92153	2014-01-12	cif/ Adding structures of 4082070, 4082071, 4082072, 4082073, 4082074, 4082075, 4082076 via cif-deposit CGI script.	4082074.cif