Crystallography Open Database

Information card for entry 4328591

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Coordinates	4328591.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H138 N8 Ni8 O20 S8
Calculated formula	C102 H138 Cl2 N8 Ni8 O20 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	12.492 ± 0.003 Å
b	15.554 ± 0.004 Å
c	17.59 ± 0.005 Å
α	77.173 ± 0.007°
β	80.819 ± 0.007°
γ	66.372 ± 0.007°
Cell volume	3043.5 ± 1.4 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	0.0641
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1437
Weighted residual factors for all reflections included in the refinement	0.1547
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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