Crystallography Open Database

Information card for entry 4328250

Preview

Coordinates	4328250.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H132 F6 N20 Ni3 O12
Calculated formula	C114 H132 F6 N20 Ni3 O12
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	16.687 ± 0.002 Å
b	16.687 ± 0.002 Å
c	38.706 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	9334 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0924
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.2042
Weighted residual factors for all reflections included in the refinement	0.218
Goodness-of-fit parameter for all reflections included in the refinement	0.934
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	4328250.cif
77200	2013-03-24	cif/ Adding structures of 4328250 via cif-deposit CGI script.	4328250.cif