Crystallography Open Database

Information card for entry 4328590

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Coordinates	4328590.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H50 N4 Ni8 O23 S8
Calculated formula	C97.02 H50 N4 Ni8 O23.02 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	25.516 ± 0.004 Å
b	15.5261 ± 0.0012 Å
c	18.427 ± 0.003 Å
α	90°
β	123.834 ± 0.006°
γ	90°
Cell volume	6063.9 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0694
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1803
Weighted residual factors for all reflections included in the refinement	0.1875
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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