Crystallography Open Database

Information card for entry 1520264

1520263 << 1520264 >> 1520265

Preview

Coordinates	1520264.cif
External links	PubChem

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
301777 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure.	1520264.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520264.cif
137894	2015-06-04	cif/ Adding structures of 1520264 via cif-deposit CGI script.	1520264.cif