Crystallography Open Database

Information card for entry 7024314

Preview

Coordinates	7024314.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	di-mu-sulphato-k4O,O'-bis(2,2'-dipyridylsulphide-k2N,N')- dicopper(ii) - water (1
Chemical name	di-mu-sulphato-k4O,O'-bis(2,2'-dipyridylsulphide-k2N,N')-dicopper(II) - water (1/3)
Formula	C20 H26 Cu2 N4 O13 S4
Calculated formula	C20 H20 Cu2 N4 O13 S4
Title of publication	Dynamic combinatorial chemistry in a solvothermal process of Cu(I,II) and organosulfur ligands.
Authors of publication	Delgado, Salomé; Santana, Adriano; Castillo, Oscar; Zamora, Félix
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	9
Pages of publication	2280 - 2287
a	7.1397 ± 0.0005 Å
b	9.3421 ± 0.0009 Å
c	11.5895 ± 0.0011 Å
α	113.487 ± 0.004°
β	93.318 ± 0.004°
γ	98.026 ± 0.004°
Cell volume	696.52 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0415
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.1123
Weighted residual factors for all reflections included in the refinement	0.1242
Goodness-of-fit parameter for all reflections included in the refinement	1.189
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179948 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/43.	7024314.cif
92387	2014-01-12	cif/ Adding structures of 7024312, 7024313, 7024314 via cif-deposit CGI script.	7024314.cif