Crystallography Open Database

Information card for entry 4337193

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Coordinates	4337193.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C109 H160 F2 N60 Ni9 O7
Calculated formula	C109 H156 F2.04 N60 Ni9 O7
Title of publication	Anionic guests in prismatic cavities generated by enneanuclear nickel metallacycles.
Authors of publication	Esteban, Jordi; Font-Bardia, Mercè; Escuer, Albert
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	2
Pages of publication	1113 - 1121
a	17.9145 ± 0.0008 Å
b	17.9145 ± 0.0008 Å
c	72.917 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	20266 ± 1.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0708
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.146
Weighted residual factors for all reflections included in the refinement	0.1632
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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