Crystallography Open Database

Information card for entry 7131567

Preview

Coordinates	7131567.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H70 N18 O26 Zn
Calculated formula	C52 H46 N18 O14 Zn
Title of publication	Metal-organic rotaxane frameworks constructed from a cucurbit[8]uril-based ternary complex for the selective detection of antibiotics.
Authors of publication	Wu, Weijie; Xu, Yinghao; Wang, Shoujun; Pang, Qingqing; Liu, Simin
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	39
Pages of publication	5890 - 5893
a	15.936 ± 0.003 Å
b	18.3877 ± 0.0014 Å
c	21.801 ± 0.003 Å
α	90°
β	104.97 ± 0.01°
γ	90°
Cell volume	6171.5 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0715
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.1819
Weighted residual factors for all reflections included in the refinement	0.1899
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	1.34138 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
284194 (current)	2023-06-05	cif/ Updating files of 7131567, 7131568 Original log message: Adding full bibliography for 7131567--7131568.cif.	7131567.cif
282670	2023-04-18	cif/ Adding structures of 7131567, 7131568 via cif-deposit CGI script.	7131567.cif