Crystallography Open Database

Information card for entry 7035052

Preview

Coordinates	7035052.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H54 N2 O2 S2 W
Calculated formula	C34 H54 N2 O2 S2 W
Title of publication	Aminobisphenolate supported tungsten disulphido and dithiolene complexes.
Authors of publication	Salojärvi, E; Peuronen, A.; Sillanpää, R; Damlin, P.; Kivelä, H; Lehtonen, A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	20
Pages of publication	9409 - 9416
a	18.1922 ± 0.0003 Å
b	15.1933 ± 0.0002 Å
c	25.7879 ± 0.0004 Å
α	90°
β	96.076 ± 0.001°
γ	90°
Cell volume	7087.72 ± 0.19 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.0352
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.056
Weighted residual factors for all reflections included in the refinement	0.0584
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation probe	x-ray
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7035052.cif
138675	2015-06-07	cif/ Updating files of 7035048, 7035049, 7035050, 7035051, 7035052 Original log message: Adding full bibliography for 7035048--7035052.cif.	7035052.cif
135927	2015-05-09	cif/ Adding structures of 7035048, 7035049, 7035050, 7035051, 7035052 via cif-deposit CGI script.	7035052.cif