Information card for entry 7236030

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 ų
• 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 Fobs: No