Crystallography Open Database

Information card for entry 7131568

Preview

Coordinates	7131568.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H90 Cd N18 O37
Calculated formula	C51 H48 Cd N18 O16
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	15.0854 ± 0.0005 Å
b	15.8414 ± 0.0006 Å
c	16.6026 ± 0.0006 Å
α	77.578 ± 0.002°
β	73.354 ± 0.002°
γ	78.418 ± 0.001°
Cell volume	3671 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 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	0.0611
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1622
Weighted residual factors for all reflections included in the refinement	0.1676
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	1.34138 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
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.	7131568.cif
282670	2023-04-18	cif/ Adding structures of 7131567, 7131568 via cif-deposit CGI script.	7131568.cif