Crystallography Open Database

Information card for entry 7134247

Preview

Coordinates	7134247.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H166 N16 O71 S8
Calculated formula	C98 H165.998 N16 O70.999 S8
Title of publication	Multi-hydrophilic groups synergistic assembly ionic HOFs with multiple-water clusters and superprotonic single-crystal conductivity.
Authors of publication	Li, Shu-Hui; Cao, Li-Hui; Zhang, Wenmin; Bai, Xiang-Tian; Chen, Xu-Yong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	20
Pages of publication	4034 - 4037
a	13.8167 ± 0.0005 Å
b	16.0738 ± 0.0006 Å
c	32.1757 ± 0.0012 Å
α	102.88 ± 0.0019°
β	95.113 ± 0.002°
γ	95.376 ± 0.002°
Cell volume	6890.7 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0947
Residual factor for significantly intense reflections	0.0809
Weighted residual factors for significantly intense reflections	0.219
Weighted residual factors for all reflections included in the refinement	0.2404
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
298779 (current)	2025-04-05	cif/ Updating files of 7134247, 7134248 Original log message: Adding full bibliography for 7134247--7134248.cif.	7134247.cif
297665	2025-02-11	cif/ Adding structures of 7134247, 7134248 via cif-deposit CGI script.	7134247.cif