Crystallography Open Database

Information card for entry 8103203

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Coordinates	8103203.cif

Structure parameters

Chemical name	Crystal structure of [aqua-bis(2,2'-bipyridine)copper(ii)]- (9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonate) trihydrate
Formula	C34 H30 Cu N4 O12 S2
Calculated formula	C34 H30 Cu N4 O12 S2
Title of publication	Crystal structure of aquabis(2,2'-bipyridyl-N,N')(9,10-dioxoanthracene-2,6-disulfonato)copper(II) — water (1:3), [Cu(H2O)(C10H8N2)2][C14H6S2O8] • 3H2O
Authors of publication	Ning Zhao; Hong-Ling Li; Hui-Juan Han
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	4
Pages of publication	547
a	11.116 ± 0.004 Å
b	11.168 ± 0.007 Å
c	15.082 ± 0.004 Å
α	80.23 ± 0.04°
β	82.57 ± 0.03°
γ	66.33 ± 0.04°
Cell volume	1686.1 ± 1.4 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	0.0917
Residual factor for significantly intense reflections	0.0818
Weighted residual factors for significantly intense reflections	0.2506
Weighted residual factors for all reflections included in the refinement	0.2764
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	8103203.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103203.cif
32545	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 8103203 via cif-deposit CGI script.	8103203.cif