Crystallography Open Database

Information card for entry 1572795

Preview

Coordinates	1572795.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C105 H63 Co6 N15 O25
Calculated formula	C105 H63 Co6 N15 O25
Title of publication	Metal-organic frameworks with two different-sized aromatic ring-confined nanotraps for benchmark natural gas upgrade.
Authors of publication	Li, Shu-Yi; Xue, Ying-Ying; Wang, Jia-Wen; Li, Hai-Peng; Lei, Jiao; Lv, Hong-Juan; Bu, Xianhui; Zhang, Peng; Wang, Ying; Yuan, Wen-Yu; Zhai, Quan-Guo
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	42
Pages of publication	17547 - 17555
a	19.7252 ± 0.001 Å
b	19.7252 ± 0.001 Å
c	23.5747 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	7943.6 ± 0.7 Å³
Cell temperature	218 ± 13 K
Ambient diffraction temperature	218 ± 13 K
Number of distinct elements	5
Space group number	188
Hermann-Mauguin space group symbol	P -6 c 2
Hall space group symbol	P -6c 2
Residual factor for all reflections	0.0955
Residual factor for significantly intense reflections	0.0787
Weighted residual factors for significantly intense reflections	0.2238
Weighted residual factors for all reflections included in the refinement	0.2389
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation probe	x-ray
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
296394 (current)	2024-12-06	cif/ Updating files of 1572795, 1572796 Original log message: Adding full bibliography for 1572795--1572796.cif.	1572795.cif
295061	2024-10-05	cif/ Adding structures of 1572795, 1572796 via cif-deposit CGI script.	1572795.cif