Crystallography Open Database

Information card for entry 4519543

4519542 << 4519543 >> 4519544

Preview

Coordinates	4519543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H50 Cl4 N8 Ni3 O10
Calculated formula	C30 H48 Cl4 N8 Ni3 O10
Title of publication	Atmospheric-Water-Induced Reversible Structural Transformation of a Two-Dimensional Ni(II)-Based Ferromagnetic MOF: A Highly Efficient Water Oxidation Electrocatalyst and Colorimetric Water Sensor
Authors of publication	Karim, Suhana; Adhikary, Amit; Ahmed, Md Estak; Samanta, Debabrata; Das, Debasis
Journal of publication	ACS Sustainable Chemistry & Engineering
Year of publication	2022
Journal volume	10
Journal issue	50
Pages of publication	16657 - 16669
a	9.558 ± 0.003 Å
b	19.249 ± 0.005 Å
c	12.446 ± 0.003 Å
α	90°
β	90.89 ± 0.009°
γ	90°
Cell volume	2289.6 ± 1.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.0431
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.0829
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
306903 (current)	2026-09-24	cif/ Adding structures of 4519543 via cif-deposit CGI script.	4519543.cif