Crystallography Open Database

Information card for entry 7228048

Preview

Coordinates	7228048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H34 Cd3 N4 O16
Calculated formula	C54 H34 Cd3 N4 O16
Title of publication	Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism
Authors of publication	Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa
Journal of publication	CrystEngComm
Year of publication	2017
a	11.6968 ± 0.0004 Å
b	16.3288 ± 0.0003 Å
c	13.0831 ± 0.0005 Å
α	90°
β	115.442 ± 0.004°
γ	90°
Cell volume	2256.47 ± 0.14 Å³
Cell temperature	292.8 ± 0.1 K
Ambient diffraction temperature	292.8 ± 0.1 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	0.0461
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0721
Weighted residual factors for all reflections included in the refinement	0.0806
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation probe	x-ray
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
195324 (current)	2017-04-11	cif/ Adding structures of 7228036, 7228037, 7228038, 7228039, 7228040, 7228041, 7228042, 7228043, 7228044, 7228045, 7228046, 7228047, 7228048 via cif-deposit CGI script.	7228048.cif