Crystallography Open Database

Information card for entry 7022853

Preview

Coordinates	7022853.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 Cu N8 S4
Calculated formula	C18 H15 Cu N8 S4
Title of publication	In situ amination and side group effect of multifunctional heterocyclic thione ligand toward discrete and polymeric cluster constructions.
Authors of publication	Hu, Sheng; Yu, Fang-Yong; Zhang, Peng; Lin, Dian-Rong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	21
Pages of publication	7731 - 7740
a	11.1491 ± 0.0006 Å
b	10.366 ± 0.0004 Å
c	17.858 ± 0.0009 Å
α	90°
β	98.33 ± 0.002°
γ	90°
Cell volume	2042.1 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0812
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
179933 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/28.	7022853.cif
90362	2013-11-17	cif/ Adding structures of 7022852, 7022853, 7022854 via cif-deposit CGI script.	7022853.cif