Crystallography Open Database

Information card for entry 7118736

Preview

Coordinates	7118736.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	W2(DippF)2K2
Formula	C58 H88 K2 N4 O2 W2
Calculated formula	C58 H88 K2 N4 O2 W2
SMILES	[W]12[N](c3c(C(C)C)cccc3C(C)C)=CN(c3c(C(C)C)cccc3C(C)C)[W]1[N](c1c(cccc1C(C)C)C(C)C)=CN2c1c(cccc1C(C)C)C(C)C.[K+].[K]([O]1CCCC1)[O](CC)CC
Title of publication	Unprecedented W2(0) quadruply bonded complex supported by π-donor ligands.
Authors of publication	Ventura, K.; Prat, J. R.; Aguirre Quintana, L. M.; Goos, A.; Villagran, D.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	20
Pages of publication	3974 - 3976
a	10.879 ± 0.002 Å
b	13.364 ± 0.003 Å
c	23.272 ± 0.005 Å
α	96.119 ± 0.006°
β	99.34 ± 0.006°
γ	105.7 ± 0.006°
Cell volume	3173.4 ± 1.2 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	0.1165
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.2002
Weighted residual factors for all reflections included in the refinement	0.2446
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
211691 (current)	2018-10-29	cif/7: Fixing Z values and formulae	7118736.cif
177677	2016-03-05	cif/ Updating files of 7118735, 7118736 Original log message: Adding full bibliography for 7118735--7118736.cif.	7118736.cif
176413	2016-02-13	cif/ Adding structures of 7118735, 7118736 via cif-deposit CGI script.	7118736.cif