Crystallography Open Database

Information card for entry 4068066

Preview

Coordinates	4068066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H26 Cl2 N2 O5 W
Calculated formula	C25 H26 Cl2 N2 O5 W
SMILES	[W]12(C#[O])([O]=C(C=C(O1)C)C)([O]=C(C=C(O2)C)C)=NN=C(c1ccccc1)c1ccccc1.C(Cl)Cl
Title of publication	Bis(acetylacetonate) Tungsten(IV) Complexes Containing a π-Basic Diazoalkane or Oxo Ligand
Authors of publication	Khosla, Chetna; Jackson, Andrew B.; White, Peter S.; Templeton, Joseph L.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	3
Pages of publication	987
a	9.995 ± 0.0005 Å
b	10.7278 ± 0.0005 Å
c	13.1644 ± 0.0006 Å
α	96.237 ± 0.003°
β	92.891 ± 0.003°
γ	109.044 ± 0.003°
Cell volume	1320.84 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0254
Residual factor for significantly intense reflections	0.024
Weighted residual factors for significantly intense reflections	0.0547
Weighted residual factors for all reflections included in the refinement	0.0554
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178506 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/80.	4068066.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068066.cif
38072	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4068064, 4068065, 4068066, 4068067, 4068068 via cif-deposit CGI script.	4068066.cif