Crystallography Open Database

Information card for entry 4116511

Preview

Coordinates	4116511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H21 Au N3 O2 S10
Calculated formula	C20 H21 Au0.75 N3 O2 S10
Title of publication	M(dmit)2 Salts with Nitronyl Nitroxide Radical Cations (M = Ni and Au, dmit = 1,3-Dithiol-2-thione-4,5-dithiolate). Nonmagnetic Single-Chain Formation vs Antiferromagnetic Spin-Ladder-Chain Formation of M(dmit)2
Authors of publication	Hiroyuki Imai; Takeo Otsuka; Toshio Naito; Kunio Awaga; Tamotsu Inabe
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	8098 - 8103
a	14.42 ± 0.005 Å
b	16.544 ± 0.004 Å
c	12.741 ± 0.003 Å
α	92.71 ± 0.02°
β	100.13 ± 0.02°
γ	103.61 ± 0.02°
Cell volume	2895.6 ± 1.4 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296.2 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
Residual factor for significantly intense reflections	0.082
Weighted residual factors for significantly intense reflections	0
Weighted residual factors for all reflections included in the refinement	0.0577
Goodness-of-fit parameter for all reflections included in the refinement	3.056
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.	4116511.cif
72630	2013-01-23	cif/ Adding structures of 4116511 via cif-deposit CGI script.	4116511.cif