Crystallography Open Database

Information card for entry 7236030

Preview

Coordinates	7236030.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Fe2(hypogallic hydroxamate)4Cl2]
Formula	C38 H52 Cl2 Fe2 N4 O20
Calculated formula	C38 H52 Cl2 Fe2 N4 O20
Title of publication	Benzoic hydroxamate-based iron complexes as model compounds for humic substances: synthesis, characterization and algal growth experiments
Authors of publication	Orlowska, Ewelina; Roller, Alexander; Wiesinger, Hubert; Pignitter, Marc; Jirsa, Franz; Krachler, Regina; Kandioller, Wolfgang; Keppler, Bernhard K.
Journal of publication	RSC Advances
Year of publication	2016
Journal volume	6
Journal issue	46
Pages of publication	40238
a	12.4686 ± 0.0006 Å
b	11.1309 ± 0.0005 Å
c	17.4694 ± 0.001 Å
α	90°
β	94.456 ± 0.003°
γ	90°
Cell volume	2417.2 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
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	0.0802
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1086
Weighted residual factors for all reflections included in the refinement	0.1202
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
233852 (current)	2019-11-23	cif/ Adding structures of 7236029, 7236030, 7236031, 7236032, 7236033, 7236034 via cif-deposit CGI script.	7236030.cif