Crystallography Open Database

Information card for entry 2241196

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Structure parameters

Chemical name	Bis(2-aminopyridinium) hexaaquacopper(II) bis(sulfate) tetrahydrate
Formula	C10 H34 Cu N4 O18 S2
Calculated formula	C10 H34 Cu N4 O18 S2
SMILES	c1([nH+]cccc1)N.S(=O)(=O)([O-])[O-].[Cu]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.c1(cccc[nH+]1)N.S(=O)(=O)([O-])[O-].O.O
Title of publication	Crystal structure of new organically templated copper sulfate with 2-aminopyridinium
Authors of publication	Lukianova, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	11
Pages of publication	m191 - m192
a	7.115 ± 0.003 Å
b	8.211 ± 0.003 Å
c	12.561 ± 0.004 Å
α	91.83 ± 0.03°
β	104.59 ± 0.03°
γ	114.57 ± 0.03°
Cell volume	638 ± 0.5 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0744
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.0818
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
181912 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/11.	2241196.cif 2241196.hkl
164415	2015-10-10	cif/ hkl/ Adding structures of 2241196 via cif-deposit CGI script.	2241196.cif 2241196.hkl