Crystallography Open Database

Information card for entry 4334289

Preview

Coordinates	4334289.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cu(1)(C2H4)]SbF6
Formula	C32 H25 Cu F18 N3 Sb
Calculated formula	C32 H25 Cu F18 N3 Sb
SMILES	[Cu]123([N](=C\c4c(cccc4F)C(F)(F)F)/C4CC([N]2=Cc2c(cccc2F)C(F)(F)F)CC([N]1=Cc1c(cccc1F)C(F)(F)F)C4)[CH2]=[CH2]3.[Sb](F)(F)(F)(F)([F-])F
Title of publication	New Cu(I)-Ethylene Complexes Based on Tridentate Imine Ligands: Synthesis and Structure
Authors of publication	Parisa Ebrahimpour; Mairi F. Haddow; Duncan F. Wass
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	3765 - 3771
a	11.1156 ± 0.0013 Å
b	12.7094 ± 0.0015 Å
c	14.3353 ± 0.0019 Å
α	93.662 ± 0.006°
β	99.756 ± 0.006°
γ	97.196 ± 0.005°
Cell volume	1972.7 ± 0.4 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	0.0347
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0769
Weighted residual factors for all reflections included in the refinement	0.0793
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
179445 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/42.	4334289.cif
100106	2014-02-04	cif/ Adding structures of 4334289 via cif-deposit CGI script.	4334289.cif