Crystallography Open Database

Information card for entry 4303180

Preview

Coordinates	4303180.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H8 Br2 N4 O2 Re
Calculated formula	C8 H8 Br2 N4 O2 Re
SMILES	c1[n](cc[nH]1)[Re](Br)(C#[O])(C#[O])([n]1c[nH]cc1)Br
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	7.3362 ± 0.0001 Å
b	14.1371 ± 0.0001 Å
c	12.7196 ± 0.0002 Å
α	90°
β	90.1415 ± 0.0012°
γ	90°
Cell volume	1319.18 ± 0.03 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 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	0.0188
Residual factor for significantly intense reflections	0.0161
Weighted residual factors for significantly intense reflections	0.0372
Weighted residual factors for all reflections included in the refinement	0.0377
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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.	4303180.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303180.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303180.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303180.cif