Crystallography Open Database

Information card for entry 7241729

Preview

Coordinates	7241729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H24 N12 O17 S2 Sr
Calculated formula	C28 H24 N12 O17 S2 Sr
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	16.623 ± 0.004 Å
b	10.715 ± 0.002 Å
c	25.723 ± 0.006 Å
α	90°
β	90.124 ± 0.004°
γ	90°
Cell volume	4581.7 ± 1.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0968
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.1783
Weighted residual factors for all reflections included in the refinement	0.1955
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7241729.cif
259729	2020-12-10	cif/ Adding structures of 7241725, 7241726, 7241727, 7241728, 7241729, 7241730, 7241731, 7241732, 7241733 via cif-deposit CGI script.	7241729.cif