Crystallography Open Database

Information card for entry 7063269

Preview

Coordinates	7063269.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74.5 H71 N4 Ni2 O15
Calculated formula	C74.503 H71.008 N4 Ni2 O15.001
Title of publication	A photochromic metal–organic framework with a rare 3D self-interpenetrated architecture and an ultrahigh MnO4− sensing ability
Authors of publication	Zhang, Jinfang; Yue, Yinlong; Tao, Xingyu; Zhang, Jiarun; Yin, Dejing; Zhang, Chi
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	28
Pages of publication	12609 - 12615
a	14.8356 ± 0.0006 Å
b	17.6855 ± 0.0008 Å
c	27.7286 ± 0.0013 Å
α	90°
β	105.359 ± 0.002°
γ	90°
Cell volume	7015.5 ± 0.5 Å³
Cell temperature	296.15 ± 0.1 K
Ambient diffraction temperature	296.15 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0868
Residual factor for significantly intense reflections	0.0689
Weighted residual factors for significantly intense reflections	0.2044
Weighted residual factors for all reflections included in the refinement	0.2317
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
293899 (current)	2024-08-05	cif/ Updating files of 7063269 Original log message: Adding full bibliography for 7063269.cif.	7063269.cif
292455	2024-06-19	cif/ Adding structures of 7063269 via cif-deposit CGI script.	7063269.cif