Crystallography Open Database

Information card for entry 4343109

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Coordinates	4343109.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60.5 H62.8 N4 Ni4 O12.9
Calculated formula	C60.5 H60 N4 Ni4 O12.9
Title of publication	Ni(II)20 "Bowls" from the Use of Tridentate Schiff Bases.
Authors of publication	Alexopoulou, Konstantina I.; Terzis, Aris; Raptopoulou, Catherine P.; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	12
Pages of publication	5615 - 5617
a	11.8628 ± 0.0002 Å
b	14.6264 ± 0.0003 Å
c	16.9232 ± 0.0003 Å
α	77.783 ± 0.001°
β	79.805 ± 0.001°
γ	79.722 ± 0.001°
Cell volume	2794.04 ± 0.09 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 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	0.036
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.0871
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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