Crystallography Open Database

Information card for entry 7249922

Preview

Coordinates	7249922.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	tetrakis-[(μ~3~-methanolato-κ^3^O:O:O)(methanol-κO)(2-oxyacetophenone-κ^2^O,O')nickel(II)]
Formula	C40 H56 Ni4 O16
Calculated formula	C40 H56 Ni4 O16
Title of publication	Ferromagnetically coupled tetranuclear Ni(ii)-2-oxy-aceto- or benzo-phenonate complexes
Authors of publication	Haque, Imdadul; Enamullah, Mohammed; Jhumur, Nisat Taslum; Sidhu, Baldeep K.; Herbert, David E.; Haj Hassani Sohi, Takin; Havlíček, Lubomír; Nemec, Ivan; Janiak, Christoph
Journal of publication	RSC Advances
Year of publication	2025
Journal volume	15
Journal issue	6
Pages of publication	4250 - 4261
a	19.08705 ± 0.00009 Å
b	15.151 ± 0.00007 Å
c	15.82527 ± 0.00008 Å
α	90°
β	95.2175 ± 0.0005°
γ	90°
Cell volume	4557.51 ± 0.04 Å³
Cell temperature	298.6 ± 0.14 K
Ambient diffraction temperature	298.6 ± 0.14 K
Number of distinct elements	4
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	0.0336
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0967
Weighted residual factors for all reflections included in the refinement	0.098
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
297638 (current)	2025-02-08	cif/ Adding structures of 7249922, 7249923 via cif-deposit CGI script.	7249922.cif