Crystallography Open Database

Information card for entry 4518760

Preview

Coordinates	4518760.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H82 Co2 N2 O38
Calculated formula	C75 H69 Co2 N O35
Title of publication	Macrocycle-Based Metal-Organic Frameworks with NO<sub>2</sub>-Driven On/Off Switch of Conductivity.
Authors of publication	Ma, Yun-Xiang; Gao, Bin; Li, Yongxin; Wei, Wei; Zhao, Yanli; Ma, Jian-Fang
Journal of publication	ACS applied materials & interfaces
Year of publication	2021
Journal volume	13
Journal issue	23
Pages of publication	27066 - 27073
a	12.4181 ± 0.0012 Å
b	15.923 ± 0.0015 Å
c	21.1268 ± 0.0018 Å
α	90°
β	99.729 ± 0.003°
γ	90°
Cell volume	4117.4 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1781
Residual factor for significantly intense reflections	0.1145
Weighted residual factors for significantly intense reflections	0.2815
Weighted residual factors for all reflections included in the refinement	0.3235
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
266953 (current)	2021-07-04	cif/ Updating files of 4518759, 4518760, 4518761 Original log message: Adding full bibliography for 4518759--4518761.cif.	4518760.cif
265680	2021-06-03	cif/ Adding structures of 4518760 via cif-deposit CGI script.	4518760.cif