Crystallography Open Database

Information card for entry 7211749

Preview

Coordinates	7211749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H28 Cd F4 N14 O4 S2
Calculated formula	C28 H28 Cd F4 N14 O4 S2
Title of publication	Thiocyanate-induced conformational transformation of a flexible fluconazole ligand in Cd(II) coordination polymers
Authors of publication	Ling, Yun; Zhang, Lei; Li, Jing; Fan, Shuan-Shi; Du, Miao
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	2
Pages of publication	604
a	8.965 ± 0.006 Å
b	12.605 ± 0.009 Å
c	17.485 ± 0.014 Å
α	90°
β	114.149 ± 0.014°
γ	90°
Cell volume	1803 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.196
Residual factor for significantly intense reflections	0.0889
Weighted residual factors for significantly intense reflections	0.17
Weighted residual factors for all reflections included in the refinement	0.2175
Goodness-of-fit parameter for all reflections included in the refinement	0.956
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
180448 (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 7/21/17.	7211749.cif
92333	2014-01-12	cif/ Adding structures of 7211744, 7211745, 7211746, 7211747, 7211748, 7211749 via cif-deposit CGI script.	7211749.cif