Crystallography Open Database

Information card for entry 1559969

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Coordinates	1559969.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tetrakis(2,2'-bipyridyl)-mu-nitratodicopper(II) Hexafluorophosphate
Formula	C40 H32 Cu2 F18 N9 O3 P3
Calculated formula	C40 Cu2 F18 N9 O3 P3
SMILES	[Cu]123([O]=N(=[O][Cu]45([n]6ccccc6c6[n]4cccc6)[n]4ccccc4c4[n]5cccc4)O1)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	The Plasticity of Cu(II) in [Cu(bipyridyl)2X]n+ Chromophores. Crystal and Molecular Structure of Tetrakis(2,2'-bipyridyl)-mu-nitratodicopper(II) Hexafluorophosphate
Authors of publication	Sletten, Jorunn; Sorensen, Astrid
Journal of publication	Acta Chemica Scandinavica
Year of publication	1990
Journal volume	44
Pages of publication	1018 - 1023
a	11.918 ± 0.006 Å
b	14.25 ± 0.004 Å
c	15.013 ± 0.005 Å
α	85.51 ± 0.02°
β	68.81 ± 0.02°
γ	76.67 ± 0.02°
Cell volume	2313.2 ± 1.6 Å³
Ambient diffraction temperature	294 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.094
Weighted residual factors for significantly intense reflections	0.085
Goodness-of-fit parameter for all reflections included in the refinement	3.38
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
260572 (current)	2021-01-06	cif/ Adding structures of 1559969 via cif-deposit CGI script.	1559969.cif