Crystallography Open Database

Information card for entry 7243658

Preview

Coordinates	7243658.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ni4TQ
Formula	C140.3 H117.1 N4 Ni O8
Calculated formula	C140.304 H117.112 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	20.4751 ± 0.0003 Å
b	20.4751 ± 0.0003 Å
c	13.4593 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	5642.5 ± 0.4 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	81
Hermann-Mauguin space group symbol	P -4
Hall space group symbol	P -4
Residual factor for all reflections	0.0909
Residual factor for significantly intense reflections	0.0708
Weighted residual factors for significantly intense reflections	0.1993
Weighted residual factors for all reflections included in the refinement	0.2207
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 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.	7243658.cif
269441	2021-10-02	cif/ Adding structures of 7243657, 7243658 via cif-deposit CGI script.	7243658.cif