Crystallography Open Database

Information card for entry 4328507

Preview

Coordinates	4328507.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	hexacarbonylbis(μ-pentafluorophenolato)(μ-pyridazine-κN1:κN2)dirhenium
Formula	C22 H4 F10 N2 O8 Re2
Calculated formula	C22 H4 F10 N2 O8 Re2
SMILES	C(#[O])[Re]12(C#[O])(C#[O])[O](c3c(c(c(c(F)c3F)F)F)F)[Re](C#[O])(C#[O])(C#[O])([n]3[n]1cccc3)[O]2c1c(c(c(F)c(F)c1F)F)F
Title of publication	Electrochemical, Computational, and Photophysical Characterization of New Luminescent Dirhenium-Pyridazine Complexes Containing Bridging OR or SR Anions
Authors of publication	Alessio Raimondi; Monica Panigati; Daniela Maggioni; Laura D'Alfonso; Pierluigi Mercandelli; Patrizia Mussini; Giuseppe D'Alfonso
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	2966 - 2975
a	19.395 ± 0.002 Å
b	25.618 ± 0.002 Å
c	10.262 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5098.8 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0314
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0484
Weighted residual factors for all reflections included in the refinement	0.0507
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
179388 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/85.	4328507.cif
77485	2013-03-28	cif/ Adding structures of 4328507 via cif-deposit CGI script.	4328507.cif