Crystallography Open Database

Information card for entry 4315345

Preview

Coordinates	4315345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H30 Br2 Cu3 N4 S4
Calculated formula	C18 H30 Br2 Cu3 N4 S4
Title of publication	Magnetic and Conducting Properties of New Halide-Bridged Mixed-Valence CuI-CuII 1D Coordination Polymers Including a Hexamethylene Dithiocarbamate Ligand
Authors of publication	Takashi Okubo; Naoya Tanaka; Kyung Ho Kim; Hironobu Yone; Masahiko Maekawa; Takayoshi Kuroda-Sowa
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	3700 - 3702
a	10.467 ± 0.014 Å
b	8.278 ± 0.006 Å
c	15.967 ± 0.015 Å
α	90°
β	105.96 ± 0.04°
γ	90°
Cell volume	1330 ± 2 Å³
Cell temperature	296.1 K
Ambient diffraction temperature	296.1 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 significantly intense reflections	0.0328
Weighted residual factors for all reflections included in the refinement	0.0909
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71075 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.	4315345.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315345.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315345.cif
8500	2011-02-07	../uploads/cif-deposit/cod/cif Adding structures of 4315345 via cif-deposit CGI script.	4315345.cif