Information card for entry 2013493

Structure parameters

• Formula: C12 H20 Fe N6 O22
• Calculated formula: C12 H20 Fe N6 O22
• SMILES: c1([O-])c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O.[OH2][Fe]([OH2])([OH2])([OH2])([OH2])[OH2].O.c1([O-])c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O.O
• Title of publication: Hexaaquairon(II) dipicrate dihydrate
• Authors of publication: Kazumasa Honda; Hiroshi Yamawaki; Makoto Matsukawa; Midori Goto; Takehiro Matsunaga; Katsutoshi Aoki; Masatake Yoshida; Shuzo Fujiwara
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: m319 - m321
• a: 25.248 ± 0.002 Å
• b: 7.1136 ± 0.0007 Å
• c: 13.1993 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2370.6 ± 0.3 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.272
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes