Crystallography Open Database

Information card for entry 4303182

Preview

Coordinates	4303182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H12 Br O2 Re S3
Calculated formula	C8 H12 Br O2 Re S3
SMILES	[Re]12(Br)(C#[O])(C#[O])[S]3CC[S]1CC[S]2CC3
Title of publication	Synthesis and Reactivity of the 17 e-Complex [ReIIBr4(CO)2]2-: A Convenient Entry into Rhenium(II) Chemistry
Authors of publication	Fabio Zobi; Lukas Kromer; Bernhard Spingler; Roger Alberto
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	8965 - 8970
a	7.6189 ± 0.0001 Å
b	12.5358 ± 0.0002 Å
c	13.4804 ± 0.0002 Å
α	90°
β	104.723 ± 0.0016°
γ	90°
Cell volume	1245.22 ± 0.03 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 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	0.0245
Residual factor for significantly intense reflections	0.0184
Weighted residual factors for significantly intense reflections	0.0535
Weighted residual factors for all reflections included in the refinement	0.0546
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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
179069 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/31.	4303182.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303182.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303182.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303182.cif