Crystallography Open Database

Information card for entry 4328252

Preview

Coordinates	4328252.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	25.2592 ± 0.0004 Å
b	25.2592 ± 0.0004 Å
c	13.1462 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	7263.9 ± 0.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0548
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.1466
Weighted residual factors for all reflections included in the refinement	0.1506
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179385 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/82.	4328252.cif
77202	2013-03-24	cif/ Adding structures of 4328252 via cif-deposit CGI script.	4328252.cif