Crystallography Open Database

Information card for entry 7023679

Preview

Coordinates	7023679.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Fe-A-2
Chemical name	rao03
Formula	C10 H31 Fe N6 O12
Calculated formula	C10 H31 Fe N6 O12
SMILES	C12CCCC3=[N]2[Fe]24([N]5=C(CCCC5=NO4)NO2)([O]=N=1)ON3.O.O.O.O.O.O.O.O
Title of publication	Complexation of glutarimidedioxime with Fe(III), Cu(II), Pb(II), and Ni(II), the competing ions for the sequestration of U(VI) from seawater.
Authors of publication	Sun, Xiaoqi; Xu, Chao; Tian, Guoxin; Rao, Linfeng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	40
Pages of publication	14621 - 14627
a	14.102 ± 0.004 Å
b	11.929 ± 0.003 Å
c	12.857 ± 0.003 Å
α	90°
β	91.976 ± 0.003°
γ	90°
Cell volume	2161.6 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0265
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.0669
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
204147 (current)	2017-12-11	cif/ Correcting the '_space_group.centring_type' data item enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5887.	7023679.cif
179941	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/36.	7023679.cif
90605	2013-11-18	cif/ Adding structures of 7023678, 7023679 via cif-deposit CGI script.	7023679.cif