Crystallography Open Database

Information card for entry 7023678

Preview

Coordinates	7023678.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	FeA
Chemical name	rao02
Formula	C5 H8.62 Cl2 Fe N3 O2.25
Calculated formula	C5 H8.61 Cl2 Fe N3 O2.305
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	9.3249 ± 0.0005 Å
b	9.4984 ± 0.0004 Å
c	22.7056 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2011.07 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0605
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.1031
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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.	7023678.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.	7023678.cif
90605	2013-11-18	cif/ Adding structures of 7023678, 7023679 via cif-deposit CGI script.	7023678.cif