Crystallography Open Database

Information card for entry 4339863

Preview

Coordinates	4339863.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H47 Cl2 N O4 P Re
Calculated formula	C39 H47 Cl2 N O4 P Re
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	15.6414 ± 0.0007 Å
b	15.8201 ± 0.0007 Å
c	16.4334 ± 0.0008 Å
α	109.916 ± 0.004°
β	91.352 ± 0.004°
γ	93.144 ± 0.003°
Cell volume	3813.6 ± 0.3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0355
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0703
Weighted residual factors for all reflections included in the refinement	0.0732
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
179501 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/98.	4339863.cif
117588	2014-06-15	cif/ Adding structures of 4339863 via cif-deposit CGI script.	4339863.cif