Crystallography Open Database

Information card for entry 7219739

7219738 << 7219739 >> 7219740

Preview

Coordinates	7219739.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 Cd Cl2 N4
Calculated formula	C18 H14 Cd Cl2 N4
SMILES	[Cd]12(Cl)(Cl)[n]3ccccc3Cc3[n]1c(n1c3cccc1)c1[n]2cccc1
Title of publication	A series of temperature-dependent CdII-complexes containing an important family of N-rich heterocycles from in situ conversion of pyridine-type Schiff base
Authors of publication	Ou, Yan-Jun; Ding, Yu-Jia; Hong, Xu-Jia; Wei, Qin; Zheng, Zhi-Peng; Long, Yuhua; Cai, Prof. Yue-Peng; Yao, Xiangdong
Journal of publication	RSC Adv.
Year of publication	2015
a	7.5805 ± 0.0012 Å
b	17.674 ± 0.003 Å
c	13.27 ± 0.002 Å
α	90°
β	90.756 ± 0.002°
γ	90°
Cell volume	1777.7 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.0769
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0806
Weighted residual factors for all reflections included in the refinement	0.0965
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
180528 (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 7/21/97.	7219739.cif
133068	2015-03-05	cif/ Adding structures of 7219739, 7219740, 7219741, 7219742, 7219743, 7219744, 7219745, 7219746, 7219747, 7219748, 7219749 via cif-deposit CGI script.	7219739.cif