Crystallography Open Database

Information card for entry 7212082

7212081 << 7212082 >> 7212083

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Coordinates	7212082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H12 Cd N4 O5 S
Calculated formula	C15 H12 Cd N4 O5 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	29.719 ± 0.005 Å
b	7.4493 ± 0.0013 Å
c	7.5474 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1670.9 ± 0.5 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0531
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.1179
Weighted residual factors for all reflections included in the refinement	0.126
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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.	7212082.cif
92598	2014-01-12	cif/ Adding structures of 7212077, 7212078, 7212079, 7212080, 7212081, 7212082, 7212083, 7212084, 7212085, 7212086 via cif-deposit CGI script.	7212082.cif