Crystallography Open Database

Information card for entry 4303181

Preview

Coordinates	4303181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H8 Br2 N2 O2 Re
Calculated formula	C14 H8 Br2 N2 O2 Re
SMILES	[Re]1(Br)(Br)(C#[O])(C#[O])[n]2cccc3c2c2c(ccc[n]12)cc3
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	6.66422 ± 0.00018 Å
b	9.3217 ± 0.0003 Å
c	12.6849 ± 0.0003 Å
α	108.991 ± 0.003°
β	98.681 ± 0.002°
γ	93.262 ± 0.002°
Cell volume	731.83 ± 0.04 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0512
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0835
Weighted residual factors for all reflections included in the refinement	0.0943
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	4303181.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303181.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303181.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303181.cif