Crystallography Open Database

Information card for entry 7231848

Preview

Coordinates	7231848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H52 Cl4 Cu K O6 S4
Calculated formula	C36 H52 Cl4 Cu K O6 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	12.2137 ± 0.0004 Å
b	12.4992 ± 0.0005 Å
c	15.7574 ± 0.0005 Å
α	90°
β	109.812 ± 0.002°
γ	90°
Cell volume	2263.16 ± 0.14 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0955
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1588
Weighted residual factors for all reflections included in the refinement	0.2052
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
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.	7231848.cif
212092	2018-11-22	cif/ Adding structures of 7231844, 7231845, 7231846, 7231847, 7231848 via cif-deposit CGI script.	7231848.cif