Crystallography Open Database

Information card for entry 4308931

Preview

Coordinates	4308931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 Cu2 I2 N8 S4
Calculated formula	C16 H16 Cu2 I2 N8 S4
SMILES	c1(nccc[nH]1)=[S]1[Cu](I)([S]=c2[nH]cccn2)[S](=c2[nH]cccn2)[Cu]1(I)[S]=c1[nH]cccn1
Title of publication	Coordination Polymers of Copper(I) Halides and Neutral Heterocyclic Thiones with New Coordination Modes
Authors of publication	Dan Li; Wen-Juan Shi; Lei Hou
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	3907 - 3913
a	12.8302 ± 0.001 Å
b	38.855 ± 0.003 Å
c	9.9562 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4963.3 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.027
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0527
Weighted residual factors for all reflections included in the refinement	0.0532
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
179127 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/89.	4308931.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308931.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308931.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308931.cif