Crystallography Open Database

Information card for entry 7126502

Preview

Coordinates	7126502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H48 N12 O38 Th6
Calculated formula	C42 H24 N6 O26 Th6
Title of publication	Modulated synthesis and isoreticular expansion of Th-MOFs with record high pore volume and surface area for iodine adsorption.
Authors of publication	Li, Zi-Jian; Ju, Yu; Yu, Bowen; Wu, Xiaoling; Lu, Huangjie; Li, Yongxin; Zhou, Jing; Guo, Xiaofeng; Zhang, Zhi-Hui; Lin, Jian; Wang, Jian-Qiang; Wang, Shuao
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	49
Pages of publication	6715 - 6718
a	30.4822 ± 0.0015 Å
b	30.4822 ± 0.0015 Å
c	30.4822 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	28323 ± 2 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.1527
Residual factor for significantly intense reflections	0.0855
Weighted residual factors for significantly intense reflections	0.2293
Weighted residual factors for all reflections included in the refinement	0.3077
Goodness-of-fit parameter for all reflections included in the refinement	1.109
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
253816 (current)	2020-07-06	cif/ Updating files of 7126502, 7126503, 7126504, 7126505, 7126506, 7126507, 7126508 Original log message: Adding full bibliography for 7126502--7126508.cif.	7126502.cif
251959	2020-05-12	cif/ Adding structures of 7126502, 7126503, 7126504, 7126505, 7126506, 7126507, 7126508 via cif-deposit CGI script.	7126502.cif