Crystallography Open Database

Information card for entry 7212081

7212080 << 7212081 >> 7212082

Preview

Coordinates	7212081.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H26 Cu2 N8 O11 S2
Calculated formula	C32 H26 Cu2 N8 O11 S2
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	15.945 ± 0.004 Å
b	14.811 ± 0.004 Å
c	15.159 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3580 ± 1.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.1043
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.0926
Weighted residual factors for all reflections included in the refinement	0.1005
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.	7212081.cif
92598	2014-01-12	cif/ Adding structures of 7212077, 7212078, 7212079, 7212080, 7212081, 7212082, 7212083, 7212084, 7212085, 7212086 via cif-deposit CGI script.	7212081.cif