Crystallography Open Database

Information card for entry 7246155

Preview

Coordinates	7246155.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H60 Ca2 N24 O34 S4
Calculated formula	C64 H60 Ca2 N24 O34 S4
Title of publication	4,4′-Biphenyldisulfonic acid induced coordination polymers of symmetrical tetramethyl cucurbit[6]uril with alkaline-earth metals for detection of antibiotics
Authors of publication	Chen, Kai; Zhu, Zhao-Qiang; Zhang, Ming-Hui; Yang, Xiang; Li, Jie; Chen, Chen; Redshaw, Carl
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	6
Pages of publication	961 - 970
a	10.493 ± 0.005 Å
b	15.94 ± 0.005 Å
c	28.368 ± 0.005 Å
α	95.591 ± 0.005°
β	94.067 ± 0.005°
γ	102.427 ± 0.005°
Cell volume	4591 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1151
Residual factor for significantly intense reflections	0.0681
Weighted residual factors for significantly intense reflections	0.1798
Weighted residual factors for all reflections included in the refinement	0.2001
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281449 (current)	2023-03-04	cif/ Updating files of 7246155, 7246156, 7246157 Original log message: Adding full bibliography for 7246155--7246157.cif.	7246155.cif
280422	2023-01-19	cif/ Adding structures of 7246155, 7246156, 7246157 via cif-deposit CGI script.	7246155.cif