Crystallography Open Database

Information card for entry 4311680

Preview

Coordinates	4311680.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,2-ethanediolato(methylamino-N,N-bis(2-methylene-4- methyl-6-tert-butylphenolato)oxotungsten(VI)
Formula	C27 H39 N O5 W
Calculated formula	C27 H39 N O5 W
SMILES	[W]123(=O)(Oc4c(cc(cc4C[N]3(Cc3cc(cc(c3O1)C(C)(C)C)C)C)C)C(C)(C)C)OCCO2
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	35.0371 ± 0.0012 Å
b	9.6461 ± 0.0004 Å
c	16.8845 ± 0.0005 Å
α	90°
β	108.104 ± 0.002°
γ	90°
Cell volume	5424 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0453
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0543
Weighted residual factors for all reflections included in the refinement	0.0581
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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.	4311680.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311680.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311680.cif
3179	2010-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4311680 via cif-deposit CGI script.	4311680.cif