Crystallography Open Database

Information card for entry 4337191

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Coordinates	4337191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C110 H159 N63 Ni9 O12
Calculated formula	C110 H156 N63 Ni9 O12
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	17.8824 ± 0.0003 Å
b	17.8824 ± 0.0003 Å
c	72.9661 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	20207.1 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0353
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0715
Weighted residual factors for all reflections included in the refinement	0.0784
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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