Crystallography Open Database

Information card for entry 8102385

Preview

Coordinates	8102385.cif

Structure parameters

Chemical name	Bis(μ~2~-4-carboxy-2-sulfonato-benzoato)bis[aqua(2,2'-bipyridyl) -copper(ii)]hexahydrate
Formula	C36 H40 Cu2 N4 O22 S2
Calculated formula	C36 H40 Cu2 N4 O22 S2
Title of publication	Crystal structure of bis(μ2-4-carboxy-2-sulfonatobenzoato)-bis[aqua(2,2'-bipyridyl)copper(II)] hexahydrate, [Cu(H2O)(C10H8N2)(C8H4O7S)]2 · 6H2O
Authors of publication	Ning Zhao; Jiamin Zhang; Zhaoxun Lian; Yongqing Gu; Tianjun Lou
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	1
Pages of publication	73
a	9.3906 ± 0.0019 Å
b	10.559 ± 0.002 Å
c	11.335 ± 0.002 Å
α	99.893 ± 0.003°
β	100.774 ± 0.003°
γ	92.56 ± 0.003°
Cell volume	1084.3 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0472
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1134
Weighted residual factors for all reflections included in the refinement	0.1181
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	8102385.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102385.cif
13124	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102385 via cif-deposit CGI script.	8102385.cif