Crystallography Open Database

Information card for entry 7035049

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Structure parameters

Formula	C36 H50 N2 O2 S2 W
Calculated formula	C36 H50 N2 O2 S2 W
SMILES	[W]123(=S)(=S)Oc4c(cc(cc4C[N]2(Cc2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)Cc1cccc[n]31)C(C)(C)C)C(C)(C)C
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	13.4235 ± 0.0003 Å
b	15.4757 ± 0.0004 Å
c	21.8073 ± 0.0005 Å
α	70.977 ± 0.001°
β	78.026 ± 0.001°
γ	67.03 ± 0.001°
Cell volume	3926.41 ± 0.17 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0727
Weighted residual factors for all reflections included in the refinement	0.0775
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
301849 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure.	7035049.cif
138675	2015-06-07	cif/ Updating files of 7035048, 7035049, 7035050, 7035051, 7035052 Original log message: Adding full bibliography for 7035048--7035052.cif.	7035049.cif
135927	2015-05-09	cif/ Adding structures of 7035048, 7035049, 7035050, 7035051, 7035052 via cif-deposit CGI script.	7035049.cif