Crystallography Open Database

Information card for entry 4315344

Preview

Coordinates	4315344.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H30 Cu3 I2 N4 S4
Calculated formula	C18 H30 Cu3 I2 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	10.5078 ± 0.0001 Å
b	8.361 ± 0.0001 Å
c	16.4258 ± 0.0002 Å
α	90°
β	106.146 ± 0.0008°
γ	90°
Cell volume	1386.18 ± 0.03 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	0.042
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	0.937
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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