Crystallography Open Database

Information card for entry 7212080

7212079 << 7212080 >> 7212081

Preview

Coordinates	7212080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 Cu N4 O4 S
Calculated formula	C18 H16 Cu N4 O4 S
Title of publication	Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands
Authors of publication	Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	4
Pages of publication	1238
a	9.124 ± 0.002 Å
b	9.649 ± 0.002 Å
c	11.613 ± 0.003 Å
α	91.85 ± 0.004°
β	104.821 ± 0.004°
γ	112.236 ± 0.004°
Cell volume	905.3 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0887
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.115
Weighted residual factors for all reflections included in the refinement	0.1385
Goodness-of-fit parameter for all reflections included in the refinement	0.841
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
180451 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/20.	7212080.cif
92598	2014-01-12	cif/ Adding structures of 7212077, 7212078, 7212079, 7212080, 7212081, 7212082, 7212083, 7212084, 7212085, 7212086 via cif-deposit CGI script.	7212080.cif