Crystallography Open Database

Information card for entry 7131072

Preview

Coordinates	7131072.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C135 H111 F21 N32 O29 S11 Zn4
Calculated formula	C135 H111 F21 N32 O29 S11 Zn4
Title of publication	Light-switched selective catalysis with NADH mimic functionalized metal-organic capsules.
Authors of publication	Wei, Jianwei; Zhao, Liang; Zhang, Yu; Zhou, Peng; Liu, Guangzhou; Duan, Chunying
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2022
Journal volume	59
Journal issue	1
Pages of publication	71 - 74
a	19.2588 ± 0.0012 Å
b	21.0194 ± 0.0013 Å
c	23.1335 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	9364.6 ± 1 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	7
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0634
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1357
Weighted residual factors for all reflections included in the refinement	0.1438
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
281316 (current)	2023-03-04	cif/ Updating files of 7131072, 7131073 Original log message: Adding full bibliography for 7131072--7131073.cif.	7131072.cif
279676	2022-12-03	cif/ Adding structures of 7131072, 7131073 via cif-deposit CGI script.	7131072.cif