Crystallography Open Database

Information card for entry 4082072

4082071 << 4082072 >> 4082073

Preview

Coordinates	4082072.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H10 Br2 O6 Ru2 Se2
Calculated formula	C18 H10 Br2 O6 Ru2 Se2
SMILES	[Ru]1(Br)([Se]([Ru](Br)([Se]1c1ccccc1)(C#[O])(C#[O])C#[O])c1ccccc1)(C#[O])(C#[O])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	8.8789 ± 0.0008 Å
b	11.2063 ± 0.001 Å
c	23.799 ± 0.002 Å
α	90°
β	99.764 ± 0.01°
γ	90°
Cell volume	2333.7 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0848
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1502
Weighted residual factors for all reflections included in the refinement	0.2204
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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.	4082072.cif
92153	2014-01-12	cif/ Adding structures of 4082070, 4082071, 4082072, 4082073, 4082074, 4082075, 4082076 via cif-deposit CGI script.	4082072.cif