Crystallography Open Database

Information card for entry 4328251

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Coordinates	4328251.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132 H186 F6 N26 Ni3 O24
Calculated formula	C132 H174 F6 N26 Ni3 O24
Title of publication	Variations of Structures and Gas Sorption Properties of Three Coordination Polymers Induced by Fluorine Atom Positions in Azamacrocyclic Ligands
Authors of publication	Long Jiang; Xian-Rui Meng; Hua Xiang; Ping Ju; Di-Chang Zhong; Tong-Bu Lu
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	1874 - 1880
a	25.2196 ± 0.0002 Å
b	25.2196 ± 0.0002 Å
c	13.2361 ± 0.0001 Å
α	90°
β	90°
γ	120°
Cell volume	7290.66 ± 0.1 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.0662
Weighted residual factors for significantly intense reflections	0.2091
Weighted residual factors for all reflections included in the refinement	0.214
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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