Crystallography Open Database

Information card for entry 1559037

Preview

Coordinates	1559037.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[CuL2](PF6)2
Formula	C20 H18 Cu F12 N6 P2
Calculated formula	C20 Cu F12 N6 P2
SMILES	[Cu]12([n]3c(cccc3)Nc3[n]1cccc3)[n]1c(cccc1)Nc1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Coordination Geometries in Bis(di-2-pyridylamine)copper(II) Complexes. Crystal Structures of [CuL2](PF6)2, [CuL2(NO3)2] and [CuL2(NCS)1.5(ClO4)0.5][CuL2(NCS)]2(ClO4)2 (L = Di-2-pyridylamine)
Authors of publication	Sletten, Jorunn; Svardal, Kristin; Sorensen, Astrid
Journal of publication	Acta Chemica Scandinavica
Year of publication	1993
Journal volume	47
Pages of publication	1091 - 1099
a	9.418 ± 0.002 Å
b	13.472 ± 0.003 Å
c	40.834 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	5181 ± 1.7 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.061
Goodness-of-fit parameter for all reflections included in the refinement	3.35
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
279031 (current)	2022-11-07	cif/1 Fixing some Z values and formulae.	1559037.cif
256303	2020-09-10	cif/ Adding structures of 1559037 via cif-deposit CGI script.	1559037.cif