Crystallography Open Database

Information card for entry 7228045

Preview

Coordinates	7228045.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H58 N9 Ni3 O17
Calculated formula	C81 H58 N9 Ni3 O17
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	9.581 ± 0.0003 Å
b	41.4136 ± 0.0015 Å
c	9.8344 ± 0.0004 Å
α	90°
β	98.146 ± 0.004°
γ	90°
Cell volume	3862.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0816
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1345
Weighted residual factors for all reflections included in the refinement	0.1537
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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.	7228045.cif