Crystallography Open Database

Information card for entry 4328593

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Coordinates	4328593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C109 H86 N4 Ni8 O21 S8
Calculated formula	C109 H86 N4 Ni8 O21 S8
Title of publication	A Series of Octanuclear-Nickel(II) Complexes Supported by Thiacalix[4]arenes
Authors of publication	Kecai Xiong; Feilong Jiang; Yanli Gai; Youfu Zhou; Daqiang Yuan; Kongzhao Su; Xinyi Wang; Maochun Hong
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	3283 - 3288
a	14.219 ± 0.009 Å
b	15.205 ± 0.009 Å
c	16.206 ± 0.011 Å
α	69.11 ± 0.03°
β	65.77 ± 0.03°
γ	71.51 ± 0.03°
Cell volume	2924 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1239
Residual factor for significantly intense reflections	0.083
Weighted residual factors for significantly intense reflections	0.2198
Weighted residual factors for all reflections included in the refinement	0.262
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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