Crystallography Open Database

Information card for entry 1520264

1520263 << 1520264 >> 1520265

Preview

Coordinates	1520264.cif

Structure parameters

Formula	C20 H20 Cu F6 N4 P
Calculated formula	C20 H20 Cu F6 N4 P
SMILES	[Cu]([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	tetrakis(Pyridine)-copper(i), hexafluorophosphate
Authors of publication	Coles, Simon J.; Hursthouse, Michael B.; Sengul, Abdurrahaman; Altin, Safinaz; Kurt, Ozgur
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	385
a	12.5009 ± 0.0001 Å
b	12.5009 ± 0.0001 Å
c	6.9133 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1080.36 ± 0.02 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0263
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0636
Weighted residual factors for all reflections included in the refinement	0.0643
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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
176428 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary.	1520264.cif
137894	2015-06-04	cif/ Adding structures of 1520264 via cif-deposit CGI script.	1520264.cif