Crystallography Open Database

Information card for entry 7236031

Preview

Coordinates	7236031.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Fe(3-hydroxybenzoic hydroxamate)3]
Formula	C27 H30 Fe N3 O11
Calculated formula	C27 H30 Fe N3 O11
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	11.1864 ± 0.0004 Å
b	21.2415 ± 0.0007 Å
c	25.3894 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	6032.9 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0642
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1104
Weighted residual factors for all reflections included in the refinement	0.1162
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
233852 (current)	2019-11-23	cif/ Adding structures of 7236029, 7236030, 7236031, 7236032, 7236033, 7236034 via cif-deposit CGI script.	7236031.cif