Crystallography Open Database

Information card for entry 7230816

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Coordinates	7230816.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H76 N4 Ni4 O12
Calculated formula	C68 H76 N4 Ni4 O12
Title of publication	Tetranuclear Ni4 cubane complexes with high χT maxima: magneto-structural analysis
Authors of publication	Torić, Filip; Pavlović, Gordana; Pajić, Damir; Cindrić, Marina; Zadro, Krešo
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	27
Pages of publication	3917
a	21.5244 ± 0.0003 Å
b	20.8865 ± 0.0003 Å
c	14.2593 ± 0.0002 Å
α	90°
β	98.504 ± 0.002°
γ	90°
Cell volume	6340.06 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0707
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.0932
Weighted residual factors for all reflections included in the refinement	0.1037
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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