Crystallography Open Database

Information card for entry 4325070

Preview

Coordinates	4325070.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	{hydrotris(3,5-dimethylpyrazol-1-yl)borato}oxobis(thiophenolato)tungsten(V)
Formula	C58 H72 B2 N12 O3 S4 W2
Calculated formula	C58 H72 B2 N12 O3 S4 W2
Title of publication	Paramagnetic Oxotungsten(V) Complexes Containing the Hydrotris(3,5-dimethylpyrazol-1-yl)borate Ligand
Authors of publication	Stephen Sproules; Aston A. Eagle; Michelle K. Taylor; Robert W. Gable; Jonathan M. White; Charles G. Young
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	4503 - 4514
a	10.5168 ± 0.0013 Å
b	27.827 ± 0.004 Å
c	21.446 ± 0.003 Å
α	90°
β	102.883 ± 0.003°
γ	90°
Cell volume	6118.2 ± 1.4 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	7
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	0.0868
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1298
Weighted residual factors for all reflections included in the refinement	0.1374
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
179353 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/50.	4325070.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325070.cif
43522	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325070 via cif-deposit CGI script.	4325070.cif