Crystallography Open Database

Information card for entry 4339523

Preview

Coordinates	4339523.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H25 N3 O3 S4 Zn
Calculated formula	C17 H25 N3 O3 S4 Zn
Title of publication	Novel coordination polymers based on the tetrathioterephthalate dianion as the bridging ligand.
Authors of publication	Neofotistou, Eleftheria; Malliakas, Christos D.; Trikalitis, Pantelis N.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	21
Pages of publication	8487 - 8489
a	7.0008 ± 0.001 Å
b	9.7164 ± 0.0011 Å
c	16.693 ± 0.002 Å
α	94.219 ± 0.01°
β	99.415 ± 0.011°
γ	92.663 ± 0.01°
Cell volume	1115.2 ± 0.2 Å³
Ambient diffraction temperature	100 ± 0.3 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	0.1165
Residual factor for significantly intense reflections	0.0724
Weighted residual factors for significantly intense reflections	0.1162
Weighted residual factors for all reflections included in the refinement	0.1277
Goodness-of-fit parameter for significantly intense reflections	1.34
Goodness-of-fit parameter for all reflections included in the refinement	1.19
Diffraction radiation wavelength	0.70926 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.	4339523.cif
117363	2014-06-14	cif/ Adding structures of 4339523 via cif-deposit CGI script.	4339523.cif