Crystallography Open Database

Information card for entry 4110732

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Coordinates	4110732.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H16 F6 N4 Ni3 O8 S2
Calculated formula	C6 H16 F6 N4 Ni3 O8 S2
Title of publication	A Ni2+ (S = 1) Kagome Compound Templated by 1,8-Diazacubane
Authors of publication	J. N. Behera; C. N. R. Rao
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	9334 - 9335
a	7.3166 ± 0.0003 Å
b	7.3166 ± 0.0003 Å
c	26.1924 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	1214.3 ± 0.09 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0343
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for all reflections	0.0933
Weighted residual factors for significantly intense reflections	0.0924
Goodness-of-fit parameter for all reflections	1.126
Goodness-of-fit parameter for significantly intense reflections	1.161
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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