Crystallography Open Database

Information card for entry 7205198

7205197 << 7205198 >> 7205199

Preview

Coordinates	7205198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H28 Cd N6 O12 S
Calculated formula	C14 H28 Cd N6 O12 S
Title of publication	Coordination polymers derived from a flexible bis(pyridylurea) ligand: conformational change of the ligand and structural diversity of the complexes
Authors of publication	Hao, Yongjing; Wu, Biao; Li, Shaoguang; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	1
Pages of publication	215
a	30.671 ± 0.012 Å
b	7.551 ± 0.003 Å
c	24.101 ± 0.01 Å
α	90°
β	122.271 ± 0.004°
γ	90°
Cell volume	4720 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0665
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.09
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
180382 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/51.	7205198.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205198.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205198.cif
14570	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7205194, 7205195, 7205196, 7205197, 7205198 via cif-deposit CGI script.	7205198.cif