Crystallography Open Database

Information card for entry 7230817

Preview

Coordinates	7230817.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H84 N4 Ni4 O12
Calculated formula	C72 H84 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	12.5096 ± 0.0004 Å
b	15.2713 ± 0.0006 Å
c	18.3851 ± 0.0009 Å
α	88.708 ± 0.004°
β	76.212 ± 0.004°
γ	74.125 ± 0.003°
Cell volume	3277.5 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.06
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.1095
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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