Crystallography Open Database

Information card for entry 8102611

Preview

Coordinates	8102611.cif

Structure parameters

Chemical name	[[5-sulfosalicylato-dicopper(II)-μ~2~-hydroxyl] 2.5hydrate, [Cu~2~(C~7~H~3~O~6~S)(OH)]^.^2.5H~2~O
Formula	C14 H11 Cu4 O19 S2
Calculated formula	C14 H6 Cu4 O19 S2
Title of publication	Crystal structure of diaqua(5-sulfosalicylato)-(m2-hydroxyl)dicopper(II) hemihydrate, Cu2(H2O)2(C7H3O6S)(OH) · 0.5H2O
Authors of publication	Shi Zhou; Chuan-Bi Li; Qing-Wei Wang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	2
Pages of publication	309
a	7.403 ± 0.007 Å
b	8.726 ± 0.007 Å
c	9.586 ± 0.001 Å
α	107.58 ± 0.03°
β	96.66 ± 0.04°
γ	102.51 ± 0.01°
Cell volume	565.3 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0458
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0859
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102611.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102611.cif
13350	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102611 via cif-deposit CGI script.	8102611.cif