Crystallography Open Database

Information card for entry 7024312

Preview

Coordinates	7024312.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bis(mu-Pyridine-2(1H)-thione-k2S:S)-tetrakis(pyridine-2(1H)- thione-S) dicopper(i) sulphate - ethanol (1/5)
Chemical name	bis(mu-Pyridine-2(1H)-thione-k2S:S)-tetrakis(pyridine-2(1H)-thione-S) dicopper(i) sulphate - ethanol (1/5)
Formula	C40 H60 Cu2 N6 O9 S7
Calculated formula	C30 H30 Cu2 N6 S6
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	7.5968 ± 0.0007 Å
b	16.9983 ± 0.0017 Å
c	18.4105 ± 0.0018 Å
α	113.803 ± 0.006°
β	92.864 ± 0.006°
γ	90.628 ± 0.006°
Cell volume	2171.2 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0798
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1922
Weighted residual factors for all reflections included in the refinement	0.2024
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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.	7024312.cif
92387	2014-01-12	cif/ Adding structures of 7024312, 7024313, 7024314 via cif-deposit CGI script.	7024312.cif