Crystallography Open Database

Information card for entry 7060956

Preview

Coordinates	7060956.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H136 N76 O56 S4 Zn2
Calculated formula	C144 H128 N76 O56 S4 Zn2
Title of publication	Ultrastable cucurbit[6]uril-based multifunctional supramolecular assembly for efficient detection of nitroaromatic compounds and antibiotics
Authors of publication	Guo, Jing; Shi, Lulu; Liu, Mei
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	38
Pages of publication	18221 - 18228
a	31.654 ± 0.005 Å
b	20.851 ± 0.003 Å
c	15.488 ± 0.002 Å
α	90°
β	94.774 ± 0.005°
γ	90°
Cell volume	10187 ± 3 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1247
Residual factor for significantly intense reflections	0.1128
Weighted residual factors for significantly intense reflections	0.2992
Weighted residual factors for all reflections included in the refinement	0.3096
Goodness-of-fit parameter for all reflections included in the refinement	1.145
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
269763 (current)	2021-10-06	cif/ Updating files of 7060956 Original log message: Adding full bibliography for 7060956.cif.	7060956.cif
269226	2021-09-21	cif/ Adding structures of 7060956 via cif-deposit CGI script.	7060956.cif