Crystallography Open Database

Information card for entry 7058855

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Coordinates	7058855.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H71 N3 Ni3 O18
Calculated formula	C50 H71 N3 Ni3 O18
Title of publication	Counter-complementarity control of the weak exchange interaction in a bent {Ni(ii)3} complex with a μ-phenoxide-μ-carboxylate double bridge
Authors of publication	Fiorini, Guillermo; Carrella, Luca; Rentschler, Eva; Alborés, Pablo
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	41
Pages of publication	16218
a	17.893 ± 0.003 Å
b	16.511 ± 0.002 Å
c	21.476 ± 0.004 Å
α	90°
β	110.56 ± 0.02°
γ	90°
Cell volume	5940.6 ± 1.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1219
Residual factor for significantly intense reflections	0.0761
Weighted residual factors for significantly intense reflections	0.203
Weighted residual factors for all reflections included in the refinement	0.2568
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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