Crystallography Open Database

Information card for entry 7232203

Preview

Coordinates	7232203.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	NG18_LT
Formula	C14 H14 Fe K O S4
Calculated formula	C14 H14 Fe K O S4
Title of publication	Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations
Authors of publication	Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	9
Pages of publication	1423
a	7.5364 ± 0.0007 Å
b	9.164 ± 0.0009 Å
c	24.2084 ± 0.0018 Å
α	90°
β	91.334 ± 0.004°
γ	90°
Cell volume	1671.5 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0329
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0629
Weighted residual factors for all reflections included in the refinement	0.0643
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
223659 (current)	2019-11-07	cif/ Updating files of 7232202, 7232203, 7232204, 7232205, 7232206, 7232207, 7232208 Original log message: Adding full bibliography for 7232202--7232208.cif.	7232203.cif
213267	2019-01-24	cif/ Adding structures of 7232202, 7232203, 7232204, 7232205, 7232206, 7232207, 7232208 via cif-deposit CGI script.	7232203.cif