Crystallography Open Database

Information card for entry 7212079

7212078 << 7212079 >> 7212080

Preview

Coordinates	7212079.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H14 Cu N4 O4 S
Calculated formula	C17 H14 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	15.18 ± 0.008 Å
b	12.571 ± 0.007 Å
c	8.951 ± 0.005 Å
α	90°
β	95.759 ± 0.012°
γ	90°
Cell volume	1699.5 ± 1.6 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1627
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for significantly intense reflections	0.1789
Weighted residual factors for all reflections included in the refinement	0.2333
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
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.	7212079.cif
92598	2014-01-12	cif/ Adding structures of 7212077, 7212078, 7212079, 7212080, 7212081, 7212082, 7212083, 7212084, 7212085, 7212086 via cif-deposit CGI script.	7212079.cif