Crystallography Open Database

Information card for entry 2020742

2020741 << 2020742 >> 2020743

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Structure parameters

Common name	bis(4-arsonoanilinium) tetrachlorocuprate(II)
Chemical name	Poly[bis(4-arsonoanilinium) [tetra-μ-chlorido-cuprate(II)]]
Formula	C12 H18 As2 Cl4 Cu N2 O6
Calculated formula	C12 H18 As2 Cl4 Cu N2 O6
SMILES	c1(ccc(cc1)[NH3+])[As](O)(=O)O.Cl[Cu](Cl)([Cl-])[Cl-].c1(ccc(cc1)[NH3+])[As](O)(=O)O
Title of publication	Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride
Authors of publication	Smith, Graham; Wermuth, Urs D.
Journal of publication	Acta Crystallographica Section C
Year of publication	2017
Journal volume	73
Journal issue	4
a	7.6315 ± 0.0004 Å
b	7.1244 ± 0.0004 Å
c	38.0925 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	2071.08 ± 0.18 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0428
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0842
Weighted residual factors for all reflections included in the refinement	0.0897
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
194123 (current)	2017-03-09	cif/ hkl/ Adding structures of 2020740, 2020741, 2020742, 2020743 via cif-deposit CGI script.	2020742.cif 2020742.hkl