Crystallography Open Database

Information card for entry 4311682

Preview

Coordinates	4311682.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	cis-dichloro(methylamino-N,N-bis(2-methylene-4,6-di- methylphenolato)oxotungsten(VI)
Formula	C19 H23 Cl2 N O3 W
Calculated formula	C19 H23 Cl2 N O3 W
SMILES	[W]12(Cl)(Cl)(=O)Oc3c(cc(cc3C[N]2(Cc2cc(cc(c2O1)C)C)C)C)C
Title of publication	Tungsten(VI) Complexes with Aminobis(phenolato) [O,N,O] Donor Ligands
Authors of publication	Ari Lehtonen; Reijo Sillanpää
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	6501 - 6506
a	14.0191 ± 0.0003 Å
b	15.4816 ± 0.0002 Å
c	18.299 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3971.58 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0522
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0582
Weighted residual factors for all reflections included in the refinement	0.0624
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation probe	x-ray
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
179155 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/16.	4311682.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311682.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311682.cif
3181	2010-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4311682 via cif-deposit CGI script.	4311682.cif