Crystallography Open Database

Information card for entry 7003888

Preview

Coordinates	7003888.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	W(OCN)(Cl)2(N(i-Pr)Ar)3
Formula	C42 H64 Cl2 N4 O3 W
Calculated formula	C41.946 H63.912 Cl2.01 N3.99 O2.979 W
Title of publication	6-Coordinate tungsten(vi) tris-n-isopropylanilide complexes: products of terminal oxo and nitrido transformations effected by main group electrophiles
Authors of publication	Clough, Christopher R.; Müller, Peter; Cummins, Christopher C.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	33
Pages of publication	4458 - 4463
a	13.36 ± 0.0012 Å
b	13.36 ± 0.0012 Å
c	39.556 ± 0.008 Å
α	90°
β	90°
γ	120°
Cell volume	6114.4 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.065
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1157
Weighted residual factors for all reflections included in the refinement	0.1394
Goodness-of-fit parameter for all reflections included in the refinement	1.152
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
179742 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/38.	7003888.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003888.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003888.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003888.cif