Crystallography Open Database

Information card for entry 4321761

Preview

Coordinates	4321761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H19 N O S2
Calculated formula	C12 H19 N O S2
Title of publication	Heavy Alkali Metal Arenedithiocarboxylates: A Facile Synthesis, Dimeric Structure, and Nonbonding Interaction between the Metals and Aromatic Ring Carbons
Authors of publication	Shinzi Kato; Nobuyuki Kitaoka; Osamu Niyomura; Yuka Kitoh; Takahiro Kanda; Masahiro Ebihara
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	496 - 506
a	10.481 ± 0.002 Å
b	18.243 ± 0.002 Å
c	7.474 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1429.1 ± 0.5 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296.2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0
Residual factor for significantly intense reflections	0
Weighted residual factors for significantly intense reflections	0
Weighted residual factors for all reflections included in the refinement	0.0365
Goodness-of-fit parameter for all reflections included in the refinement	1.339
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4321761.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321761.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321761.cif
19572	2011-05-21	../uploads/cif-deposit/cod/cif Adding structures of 4321761 via cif-deposit CGI script.	4321761.cif