Crystallography Open Database

Information card for entry 7219744

7219743 << 7219744 >> 7219745

Preview

Coordinates	7219744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H70 Cd7 Cl14 N18 O2
Calculated formula	C72 H66 Cd7 Cl14 N18 O2
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	19.5538 ± 0.0015 Å
b	16.2417 ± 0.0012 Å
c	27.985 ± 0.002 Å
α	90°
β	94.863 ± 0.001°
γ	90°
Cell volume	8855.7 ± 1.1 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1228
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1302
Weighted residual factors for all reflections included in the refinement	0.1642
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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.	7219744.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.	7219744.cif