Crystallography Open Database

Information card for entry 1518930

Preview

Coordinates	1518930.cif

Structure parameters

Formula	C46 H48 Cl4 N6 O2 W2
Calculated formula	C46 H48 Cl4 N6 O2 W2
SMILES	[W]12([W](Cl)(Cl)([N](=C(N1c1ccccc1)Nc1ccccc1)c1ccccc1)N(C(=[N]2c1ccccc1)Nc1ccccc1)c1ccccc1)(Cl)Cl.O1CCCC1.O1CCCC1
Title of publication	Stabilization of a W2 6+ bimetallic complex supported by two N,N',N'-triphenylguanidinate ligands
Authors of publication	Karen Ventura; Jose M. Veleta; Alejandro Metta-Magana; Dino Villagran
Journal of publication	Inorganica Chimica Acta
Year of publication	2015
Journal volume	424
Pages of publication	286 - 292
a	9.8876 ± 0.0007 Å
b	10.9553 ± 0.0007 Å
c	11.5406 ± 0.0008 Å
α	111.679 ± 0.001°
β	94.411 ± 0.001°
γ	97.644 ± 0.001°
Cell volume	1140.52 ± 0.13 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	0.0353
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0765
Weighted residual factors for all reflections included in the refinement	0.0854
Goodness-of-fit parameter for all reflections included in the refinement	0.663
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518930.cif
134517	2015-03-29	cif/ Adding structures of 1518930 via cif-deposit CGI script.	1518930.cif