Crystallography Open Database

Information card for entry 7210295

Preview

Coordinates	7210295.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H44 Cl4 N9 Ni4.5 O28.5 S4
Calculated formula	C20 H44 Cl4 N9 Ni4.5 O28.5033 S4
Title of publication	Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole
Authors of publication	Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	32
Pages of publication	6413
a	25.7473 ± 0.0014 Å
b	25.7473 ± 0.0014 Å
c	23.3799 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	13422.6 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.095
Weighted residual factors for all reflections included in the refinement	0.1034
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7210295.cif
87588	2013-08-27	cif/ Adding structures of 7210289, 7210290, 7210291, 7210292, 7210293, 7210294, 7210295 via cif-deposit CGI script.	7210295.cif