Crystallography Open Database

Information card for entry 4339862

Preview

Coordinates	4339862.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35.5 H62 Cl3 N2 O3 Re S
Calculated formula	C35.5 H62 Cl3 N2 O3 Re S
Title of publication	Rhenium(V) oxo complexes with acetylacetone derived Schiff bases: structure and catalytic epoxidation.
Authors of publication	Sachse, Anna; Mösch-Zanetti, Nadia C; Lyashenko, Ganna; Wielandt, J. Wolfram; Most, Kerstin; Magull, Jörg; Dall'Antonia, Fabio; Pal, Aritra; Herbst-Irmer, Regine
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	17
Pages of publication	7129 - 7135
a	14.5256 ± 0.0006 Å
b	17.4906 ± 0.0006 Å
c	17.1378 ± 0.0008 Å
α	90°
β	113.981 ± 0.003°
γ	90°
Cell volume	3978.2 ± 0.3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	7
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	0.0465
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.0839
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4339862.cif
117587	2014-06-15	cif/ Adding structures of 4339862 via cif-deposit CGI script.	4339862.cif