Crystallography Open Database

Information card for entry 8102296

Preview

Coordinates	8102296.cif

Structure parameters

Formula	C18 H24 Cu N2 O16 S2
Calculated formula	C18 H24 Cu N2 O16 S2
Title of publication	Crystal structure of tetraaqua-cis-bis(4-(sulfonylglycinato)benzoato)copper(II), Cu(H2O)4(C9H8NO6S)2
Authors of publication	Shuai Yuan; Xiao-Dong Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	3
Pages of publication	267
a	5.181 ± 0.002 Å
b	5.655 ± 0.003 Å
c	21.236 ± 0.01 Å
α	83.634 ± 0.006°
β	87.427 ± 0.006°
γ	84.985 ± 0.005°
Cell volume	615.6 ± 0.5 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 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	0.0594
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0664
Weighted residual factors for all reflections included in the refinement	0.0732
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102296.cif
176728	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.	8102296.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102296.cif
13035	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102296 via cif-deposit CGI script.	8102296.cif