Crystallography Open Database

Information card for entry 2008908

2008907 << 2008908 >> 2008909

Preview

Coordinates	2008908.cif
Original IUCr paper	HTML

Structure parameters

Common name	[(Cu2Cl3)](H2bpds)(BF4)
Chemical name	Hexachlorodicuprate(II) Bis[bis(4-pyridinium)disulfide] Bis(tetrafluoroborate)
Formula	C20 H20 B2 Cl6 Cu2 F8 N4 S4
Calculated formula	C20 H20 B2 Cl6 Cu2 F8 N4 S4
SMILES	[Cu]1(Cl)(Cl)[Cl][Cu](Cl)([Cl]1)Cl.S(Sc1cc[nH+]cc1)c1cc[nH+]cc1.S(Sc1cc[nH+]cc1)c1cc[nH+]cc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
Title of publication	Bis(4,4'-disulfanediyldipyridinium) di-μ-chloro-bis[dichlorocuprate(II)] bis(tetrafluoroborate)
Authors of publication	Blake, Alexander J.; Champness, Neil R.; Cooke, Paul A.; Nicolson, James E.B.
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	9
Pages of publication	1422 - 1425
a	5.9096 ± 0.0011 Å
b	9.9845 ± 0.0017 Å
c	14.394 ± 0.003 Å
α	95.053 ± 0.017°
β	93.762 ± 0.019°
γ	99.544 ± 0.017°
Cell volume	831.5 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0681
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for all reflections included in the refinement	0.0816
Goodness-of-fit parameter for all reflections included in the refinement	1.18
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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