Crystallography Open Database

Information card for entry 7134165

Preview

Coordinates	7134165.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H26 N4 O8 S2 Zn
Calculated formula	C29 H24 N4 O9 S2 Zn
Title of publication	A metal-organic framework with mixed electron donor and electron acceptor ligands for efficient lithium-ion storage.
Authors of publication	Wang, Ruo-Nan; Tan, Yu-Chuan; Liu, Wei; Wang, Zi-Yi; Zhang, Jun-Die; Zhu, Qin-Yu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	11
Pages of publication	2289 - 2292
a	32.9631 ± 0.0015 Å
b	13.3189 ± 0.0006 Å
c	15.4095 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	6765.3 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1358
Residual factor for significantly intense reflections	0.1277
Weighted residual factors for significantly intense reflections	0.2662
Weighted residual factors for all reflections included in the refinement	0.2704
Goodness-of-fit parameter for all reflections included in the refinement	1.176
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298072 (current)	2025-03-04	cif/ Updating files of 7134165 Original log message: Adding full bibliography for 7134165.cif.	7134165.cif
297276	2025-01-11	cif/ Adding structures of 7134165 via cif-deposit CGI script.	7134165.cif