Crystallography Open Database

Information card for entry 8102660

Preview

Coordinates	8102660.cif

Structure parameters

Chemical name	catena-poly[[aqua(2,2'-bipyridine)copper(II) -μ-2-thiodibenzoato]monohydrate] , [[Cu(C~14~H~8~O~4~S)(C~10~H~8~N~2~) (H~2~O)]^.^(H~2~O)]~n~
Formula	C24 H20 Cu N2 O6 S
Calculated formula	C24 H20 Cu N2 O6 S
Title of publication	Crystal structure of catena-[aqua-(2,2'-bipyridine)-(m-2-thiodibenzoato)copper(II)] hydrate, Cu(H2O)(C10H8N2)(C14H8O4S) · H2O
Authors of publication	Shan-Shan Liu; Xin-Hua Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	1
Pages of publication	194
a	15.981 ± 0.002 Å
b	7.6739 ± 0.0011 Å
c	18.172 ± 0.003 Å
α	90°
β	98.917 ± 0.003°
γ	90°
Cell volume	2201.6 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0796
Residual factor for significantly intense reflections	0.0722
Weighted residual factors for significantly intense reflections	0.1741
Weighted residual factors for all reflections included in the refinement	0.1838
Goodness-of-fit parameter for all reflections included in the refinement	1.257
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	8102660.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102660.cif
13399	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102660 via cif-deposit CGI script.	8102660.cif