Crystallography Open Database

Information card for entry 7231847

Preview

Coordinates	7231847.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	AG18_LT
Formula	C12 H4 Cl4 Cu K O S4
Calculated formula	C12 H4 Cl4 Cu K O S4
Title of publication	Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers
Authors of publication	Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	6
Pages of publication	957
a	26.2707 ± 0.001 Å
b	3.9461 ± 0.0002 Å
c	17.367 ± 0.0007 Å
α	90°
β	102.37 ± 0.002°
γ	90°
Cell volume	1758.58 ± 0.13 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0592
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.105
Weighted residual factors for all reflections included in the refinement	0.1366
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
223600 (current)	2019-11-07	cif/ Updating files of 7231844, 7231845, 7231846, 7231847, 7231848 Original log message: Adding full bibliography for 7231844--7231848.cif.	7231847.cif
212092	2018-11-22	cif/ Adding structures of 7231844, 7231845, 7231846, 7231847, 7231848 via cif-deposit CGI script.	7231847.cif