Crystallography Open Database

Information card for entry 7118831

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Coordinates	7118831.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C192 H240 B4 F16 N36 Ni4
Calculated formula	C192 H240 B4 F16 N36 Ni1.32
Title of publication	Metal-center exchange of tetrahedral cages: single crystal to single crystal and spin-crossover properties.
Authors of publication	Zhang, Feng-Li; Chen, Jia-Qian; Qin, Long-Fang; Tian, Lei; Li, Zaijun; Ren, Xuehong; Gu, Zhi-Guo
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	26
Pages of publication	4796 - 4799
a	23.2474 ± 0.0007 Å
b	23.2474 ± 0.0007 Å
c	23.2474 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	12563.9 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	197
Hermann-Mauguin space group symbol	I 2 3
Hall space group symbol	I 2 2 3
Residual factor for all reflections	0.1197
Residual factor for significantly intense reflections	0.0702
Weighted residual factors for significantly intense reflections	0.1609
Weighted residual factors for all reflections included in the refinement	0.1812
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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