Crystallography Open Database

Information card for entry 7241728

Preview

Coordinates	7241728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H24 Ba N12 O17 S2
Calculated formula	C28 H24 Ba N12 O17 S2
Title of publication	Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers
Authors of publication	Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	2
Pages of publication	465 - 481
a	11.244 ± 0.0006 Å
b	13.9869 ± 0.0008 Å
c	14.8283 ± 0.0008 Å
α	109.442 ± 0.002°
β	111.672 ± 0.002°
γ	99.695 ± 0.002°
Cell volume	1927.38 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0763
Residual factor for significantly intense reflections	0.0698
Weighted residual factors for significantly intense reflections	0.1878
Weighted residual factors for all reflections included in the refinement	0.1953
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
261625 (current)	2021-02-05	cif/ Updating files of 7241725, 7241726, 7241727, 7241728, 7241729, 7241730, 7241731, 7241732, 7241733 Original log message: Adding full bibliography for 7241725--7241733.cif.	7241728.cif
259729	2020-12-10	cif/ Adding structures of 7241725, 7241726, 7241727, 7241728, 7241729, 7241730, 7241731, 7241732, 7241733 via cif-deposit CGI script.	7241728.cif