Crystallography Open Database

Information card for entry 2022514

2022513 << 2022514 >> 2022515

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Structure parameters

Chemical name	<i>cyclo</i>-Tetrakis(μ-2-methoxy-6-{[2-(pyridin-2-yl)hydrazin-1-ylidene]methyl}phenolato)tetranickel(II) tetrakis(perchlorate) acetonitrile monosolvate dihydrate
Formula	C54 H55 Cl4 N13 Ni4 O26
Calculated formula	C54 H55 Cl4 N13 Ni4 O26
Title of publication	A tetranuclear nickel(II) complex, [Ni4(L)4](ClO4)4·C2H3N·2H2O, with an asymmetric Ni4O4 open-cubane-like core
Authors of publication	Patel, R. N.; Patel, S. K.; Patel, A. K.; Patel, N.; Butcher, Ray J.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2022
Journal volume	78
Journal issue	2
a	23.5976 ± 0.0006 Å
b	11.8723 ± 0.0003 Å
c	22.2989 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	6247.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0705
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1121
Weighted residual factors for all reflections included in the refinement	0.125
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
272054 (current)	2022-01-15	cif/ hkl/ Adding structures of 2022514 via cif-deposit CGI script.	2022514.cif 2022514.hkl