Information card for entry 8103322

Structure parameters

• Formula: C43 H35 Fe N9 O10
• Calculated formula: C43 H35 Fe N9 O10
• Title of publication: Crystal structure of tris(1,10-phenanthroline-k2N,N')iron(II) dinitrate — 4-aminobenzoic acid — water (1:1:2), [Fe(C12H8N2)3][NO3]2 · C7H7NO2 · 2H2O
• Authors of publication: Miao-Ling Huang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 110
• a: 12.7835 ± 0.0013 Å
• b: 13.507 ± 0.0014 Å
• c: 15.7852 ± 0.0016 Å
• α: 71.024 ± 0.001°
• β: 87.263 ± 0.002°
• γ: 64.291 ± 0.001°
• Cell volume: 2308.3 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No