Crystallography Open Database

Information card for entry 7237229

Preview

Coordinates	7237229.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H60 N18 Ni6 O25
Calculated formula	C102 H60 N18 Ni6 O25
Title of publication	Quest for 9-connected robust metal‒organic framework platforms based on [M3(O/OH)(COO)6(pyridine)3] clusters as excellent gas separation and asymmetric supercapacitor materials
Authors of publication	Xue, Ying-Ying; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng; Zhai, Quan-Guo
Journal of publication	Journal of Materials Chemistry A
Year of publication	2019
Journal volume	7
Journal issue	9
Pages of publication	4640
a	19.2359 ± 0.0013 Å
b	19.2359 ± 0.0013 Å
c	24.063 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	7710.9 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.1218
Residual factor for significantly intense reflections	0.0714
Weighted residual factors for significantly intense reflections	0.1662
Weighted residual factors for all reflections included in the refinement	0.1893
Goodness-of-fit parameter for all reflections included in the refinement	0.9
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237504 (current)	2019-11-24	cif/ Adding structures of 7237228, 7237229, 7237230 via cif-deposit CGI script.	7237229.cif