Crystallography Open Database

Information card for entry 4504935

Preview

Coordinates	4504935.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H42 Cl2 N4 O13 S4 Zn
Calculated formula	C30 H36 Cl2 N4 O13 S4 Zn
Title of publication	Syntheses and Crystal Structures of Manganese(II), Cadmium(II), Cobalt(II), and Zinc(II) Complexes with 4-Pyridyl Dithioether Ligands
Authors of publication	Xie, Ya-Bo; Li, Jian-Rong; Zhang, Chong; Bu, Xian-He
Journal of publication	Crystal Growth & Design
Year of publication	2005
Journal volume	5
Journal issue	5
Pages of publication	1743
a	15.97 ± 0.003 Å
b	15.97 ± 0.003 Å
c	17.523 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	4469.1 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.1876
Residual factor for significantly intense reflections	0.0899
Weighted residual factors for significantly intense reflections	0.2283
Weighted residual factors for all reflections included in the refinement	0.2748
Goodness-of-fit parameter for all reflections included in the refinement	0.844
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179584 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/49.	4504935.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504935.cif
50059	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4504935 via cif-deposit CGI script.	4504935.cif