Crystallography Open Database

Information card for entry 7061382

Preview

Coordinates	7061382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C91 H90 N31 Ni2 O4
Calculated formula	C75 H54 N27 Ni2
Title of publication	A Ni(ii) metal–organic framework with helical channels for the capture of iodine via guest exchange induced amorphization
Authors of publication	Huang, Jie-Fen; Hu, Hao-Chen; Deng, Shu-Qi; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang; Zheng, Sheng-Run
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	15
Pages of publication	7144 - 7152
a	22.7024 ± 0.0011 Å
b	22.7024 ± 0.0011 Å
c	24.4575 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	10916.6 ± 0.9 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0439
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1033
Goodness-of-fit parameter for all reflections included in the refinement	0.988
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
275037 (current)	2022-05-05	cif/ Updating files of 7061382 Original log message: Adding full bibliography for 7061382.cif.	7061382.cif
273634	2022-03-11	cif/ Adding structures of 7061382 via cif-deposit CGI script.	7061382.cif