Crystallography Open Database

Information card for entry 7212083

7212082 << 7212083 >> 7212084

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Coordinates	7212083.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 Cd N4 O4 S
Calculated formula	C16 H12 Cd 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	10.5795 ± 0.0007 Å
b	11.5813 ± 0.0008 Å
c	13.6314 ± 0.0009 Å
α	90°
β	105.936 ± 0.001°
γ	90°
Cell volume	1605.99 ± 0.19 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 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	0.0226
Residual factor for significantly intense reflections	0.0207
Weighted residual factors for significantly intense reflections	0.0597
Weighted residual factors for all reflections included in the refinement	0.0608
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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.	7212083.cif
92598	2014-01-12	cif/ Adding structures of 7212077, 7212078, 7212079, 7212080, 7212081, 7212082, 7212083, 7212084, 7212085, 7212086 via cif-deposit CGI script.	7212083.cif