Crystallography Open Database

Information card for entry 7243657

Preview

Coordinates	7243657.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ni4AQ
Formula	C124 H108 N4 Ni O8
Calculated formula	C124 H108 N4 Ni O8
Title of publication	Solvent-regulated biomorphs from the intense π,π-mediated assemblies of tetracenequinone fused porphyrin
Authors of publication	Chen, Chen; Li, Dan; Cao, Guanyue; Qin, Zhonghe; Xu, Yi; Liu, Xiujun; Li, Qizhao; Xie, Yongshu; Li, Chengjie
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	43
Pages of publication	7565 - 7569
a	22.271 ± 0.002 Å
b	22.271 ± 0.002 Å
c	12.529 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	6214.4 ± 1.1 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 K
Number of distinct elements	5
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.1197
Residual factor for significantly intense reflections	0.0972
Weighted residual factors for significantly intense reflections	0.2893
Weighted residual factors for all reflections included in the refinement	0.3111
Goodness-of-fit parameter for all reflections included in the refinement	1.189
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
271162 (current)	2021-12-07	cif/ Updating files of 7243657, 7243658 Original log message: Adding full bibliography for 7243657--7243658.cif.	7243657.cif
269441	2021-10-02	cif/ Adding structures of 7243657, 7243658 via cif-deposit CGI script.	7243657.cif