Crystallography Open Database

Information card for entry 1560859

Preview

Coordinates	1560859.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	ST-sod-Ni
Formula	C30 H17 N4 Ni3 O14
Calculated formula	C25.152 H12.768 N2.808 Ni3 O14
Title of publication	A window-space-directed assembly strategy for the construction of supertetrahedron-based zeolitic mesoporous metal-organic frameworks with ultramicroporous apertures for selective gas adsorption.
Authors of publication	Zhang, Lei; Li, Fangfang; You, Jianjun; Hua, Nengbin; Wang, Qianting; Si, Junhui; Chen, Wenzhe; Wang, Wenjing; Wu, Xiaoyuan; Yang, Wenbin; Yuan, Daqiang; Lu, Canzhong; Liu, Yanrong; Al-Enizi, Abdullah M; Nafady, Ayman; Ma, Shengqian
Journal of publication	Chemical science
Year of publication	2021
Journal volume	12
Journal issue	16
Pages of publication	5767 - 5773
a	32.9754 ± 0.0001 Å
b	32.9754 ± 0.0001 Å
c	32.9754 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	35856.7 ± 0.19 Å³
Cell temperature	104.5 ± 0.7 K
Ambient diffraction temperature	104.5 ± 0.7 K
Number of distinct elements	5
Space group number	229
Hermann-Mauguin space group symbol	I m -3 m
Hall space group symbol	-I 4 2 3
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for significantly intense reflections	0.1774
Weighted residual factors for all reflections included in the refinement	0.1802
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.3405 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
265914 (current)	2021-06-05	cif/ Updating files of 1560858, 1560859, 1560860 Original log message: Adding full bibliography for 1560858--1560860.cif.	1560859.cif
262781	2021-03-06	cif/ Adding structures of 1560858, 1560859, 1560860 via cif-deposit CGI script.	1560859.cif