Crystallography Open Database

Information card for entry 7125887

Preview

Coordinates	7125887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C922 H1222 N150 O268 Zn24
Calculated formula	C720 H504 N96 O144 Zn24
Title of publication	A calix[4]resorcinarene-based giant coordination cage: controlled assembly and iodine uptake.
Authors of publication	Pei, Wen-Yuan; Yang, Jin; Wu, Hui; Zhou, Wei; Yang, Ying-Wei; Ma, Jian-Fang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	16
Pages of publication	2491 - 2494
a	51.495 ± 0.0014 Å
b	51.495 ± 0.0014 Å
c	48.469 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	111308 ± 8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.2286
Residual factor for significantly intense reflections	0.1049
Weighted residual factors for significantly intense reflections	0.3039
Weighted residual factors for all reflections included in the refinement	0.3981
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
248815 (current)	2020-03-05	cif/ Updating files of 7125887 Original log message: Adding full bibliography for 7125887.cif.	7125887.cif
247423	2020-02-01	cif/ Adding structures of 7125887 via cif-deposit CGI script.	7125887.cif