Crystallography Open Database

Information card for entry 4126065

Preview

Coordinates	4126065.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C290 H282 N30 O62 Zn8
Calculated formula	C272 H232 N24 O56 Zn8
Title of publication	Versatile Assembly of Metal-Coordinated Calix[4]resorcinarene Cavitands and Cages through Ancillary Linker Tuning.
Authors of publication	Pei, Wen-Yuan; Xu, Guohai; Yang, Jin; Wu, Hui; Chen, Banglin; Zhou, Wei; Ma, Jian-Fang
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	22
Pages of publication	7648 - 7656
a	19.3658 ± 0.0016 Å
b	19.5266 ± 0.0018 Å
c	27.211 ± 0.002 Å
α	85.809 ± 0.004°
β	83.726 ± 0.003°
γ	64.922 ± 0.003°
Cell volume	9259.9 ± 1.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0986
Residual factor for significantly intense reflections	0.0758
Weighted residual factors for significantly intense reflections	0.2307
Weighted residual factors for all reflections included in the refinement	0.2502
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
199577 (current)	2017-08-05	cif/ Updating files of 4126063, 4126064, 4126065, 4126066, 4126067 Original log message: Adding full bibliography for 4126063--4126067.cif.	4126065.cif
196902	2017-05-24	cif/ Adding structures of 4126065 via cif-deposit CGI script.	4126065.cif