Crystallography Open Database

Information card for entry 4512151

Preview

Coordinates	4512151.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H22 Cd2 Cl3 N7 S
Calculated formula	C25 H22 Cd2 Cl3 N7 S
Title of publication	CdII-Mediated Efficient Synthesis and Complexation of Asymmetric Tetra-(2-pyridine)-Substituted Imidazolidine
Authors of publication	Ou, Yan-Jun; Zheng, Zhi-Peng; Hong, Xu-Jia; Wan, Lin-Tao; Wei, Lei-Ming; Lin, Xiao-Ming; Cai, Yue-Peng
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	11
Pages of publication	5339
a	11.0183 ± 0.0008 Å
b	12.7649 ± 0.0009 Å
c	21.2456 ± 0.0015 Å
α	90°
β	97.561 ± 0.001°
γ	90°
Cell volume	2962.2 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0547
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0698
Weighted residual factors for all reflections included in the refinement	0.0789
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
179668 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/21.	4512151.cif
126862	2014-11-11	cif/ Updating files of 4512150, 4512151, 4512152 Original log message: Adding full bibliography for 4512150--4512152.cif.	4512151.cif
125367	2014-10-15	cif/ Adding structures of 4512150, 4512151, 4512152 via cif-deposit CGI script.	4512151.cif