Information card for entry 2220245

Structure parameters

• Chemical name: Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) μ-oxido-bis[trichloridoferrate(III)] ethanol semisolvate
• Formula: C37 H27 Cl6 Fe3 N6 O1.5
• Calculated formula: C37 H27 Cl6 Fe3 N6 O1.5
• Title of publication: Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) μ-oxido-bis[trichloridoferrate(III)] ethanol hemisolvate
• Authors of publication: Li, Zhan-Xian; Yu, Ming-Ming; Zhang, Yu-Na; Wei, Liu-He
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1514
• a: 15.3536 ± 0.0018 Å
• b: 13.1857 ± 0.0016 Å
• c: 20.897 ± 0.002 Å
• α: 90°
• β: 94.701 ± 0.002°
• γ: 90°
• Cell volume: 4216.3 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.1218
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1877
• Weighted residual factors for all reflections included in the refinement: 0.2121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes