Crystallography Open Database

Information card for entry 4346109

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Coordinates	4346109.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H22 N4 Ni3 O14 S2
Calculated formula	C34 H22 N4 Ni3 O14 S2
Title of publication	Anionic metal-organic framework for adsorption and separation of light hydrocarbons.
Authors of publication	Li, Jia; Fu, Hong-Ru; Zhang, Jian; Zheng, Lan-Sun; Tao, Jun
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	7
Pages of publication	3093 - 3095
a	26.7674 ± 0.0005 Å
b	26.7674 ± 0.0005 Å
c	26.7674 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	19178.7 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	204
Hermann-Mauguin space group symbol	I m -3
Hall space group symbol	-I 2 2 3
Residual factor for all reflections	0.1279
Residual factor for significantly intense reflections	0.1055
Weighted residual factors for significantly intense reflections	0.2637
Weighted residual factors for all reflections included in the refinement	0.2833
Goodness-of-fit parameter for all reflections included in the refinement	1.321
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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