Crystallography Open Database

Information card for entry 4519544

4519543 << 4519544 >> 4519545

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Coordinates	4519544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H50 Cl4 N8 Ni3 O10
Calculated formula	C30 H42 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	9.3374 ± 0.0008 Å
b	19.1301 ± 0.0017 Å
c	12.3287 ± 0.0011 Å
α	90°
β	90.441 ± 0.003°
γ	90°
Cell volume	2202.2 ± 0.3 Å³
Cell temperature	149 ± 2 K
Ambient diffraction temperature	149 ± 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	0.1085
Residual factor for significantly intense reflections	0.0755
Weighted residual factors for significantly intense reflections	0.1867
Weighted residual factors for all reflections included in the refinement	0.2137
Goodness-of-fit parameter for all reflections included in the refinement	1.149
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
306904 (current)	2026-09-24	cif/ Adding structures of 4519544 via cif-deposit CGI script.	4519544.cif