Crystallography Open Database

Information card for entry 4328508

Preview

Coordinates	4328508.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	hexacarbonylbis(μ-phenolato)(μ-pyridazine-κN1:κN2)dirhenium dichloromethane solvate
Formula	C22.5 H15 Cl N2 O8 Re2
Calculated formula	C22.5 H15 Cl N2 O8 Re2
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	8.86 ± 0.002 Å
b	12.518 ± 0.002 Å
c	23.094 ± 0.002 Å
α	90°
β	96.1 ± 0.02°
γ	90°
Cell volume	2546.8 ± 0.7 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0581
Weighted residual factors for all reflections included in the refinement	0.0635
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4328508.cif
77486	2013-03-28	cif/ Adding structures of 4328508 via cif-deposit CGI script.	4328508.cif