Crystallography Open Database

Information card for entry 7247705

Preview

Coordinates	7247705.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H72 Hf6 O32
Calculated formula	C120 H72 Hf6 O32
Title of publication	A stable ultra-microporous hafnium-based metal–organic framework with high performance for CO2 adsorption and separation
Authors of publication	Ma, Yali; Wang, Haitang; Wang, Hailong; Wang, Jiani; Jiang, Shuaiyu; Zheng, Qiang; Jia, Songyan; Li, Xue; Ma, Tianyi
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	46
Pages of publication	6489 - 6495
a	30.238 ± 0.006 Å
b	30.238 ± 0.006 Å
c	15.131 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	11981 ± 5 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0765
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1386
Weighted residual factors for all reflections included in the refinement	0.1593
Goodness-of-fit parameter for all reflections included in the refinement	0.974
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
288782 (current)	2024-01-06	cif/ Updating files of 7247705 Original log message: Adding full bibliography for 7247705.cif.	7247705.cif
287568	2023-11-14	cif/ Adding structures of 7247705 via cif-deposit CGI script.	7247705.cif