Crystallography Open Database

Information card for entry 4503912

Preview

Coordinates	4503912.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 Cu2 N4 S3
Calculated formula	C12 H8 Cu2 N4 S3
Title of publication	Ligand Concentration Controlled Supramolecular Isomerism in Two CuSCN Based Coordination Polymers with in Situ Synthesized 4,4‘-Dipyridylsulfide as a Co-Ligand
Authors of publication	Hao, Zheng-Ming; Zhang, Xian-Ming
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	1
Pages of publication	64
a	17.999 ± 0.01 Å
b	8.518 ± 0.005 Å
c	10.203 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	1564.3 ± 1.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	54
Hermann-Mauguin space group symbol	P c c a
Hall space group symbol	-P 2a 2ac
Residual factor for all reflections	0.0987
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.1413
Weighted residual factors for all reflections included in the refinement	0.1836
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
179574 (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 4/50/39.	4503912.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503912.cif
44811	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4503912, 4503913 via cif-deposit CGI script.	4503912.cif