Information card for entry 2231395

Structure parameters

• Chemical name: Tris(1,10-phenanthroline)iron(II) μ-oxido-bis[trichloridoferrate(III)]
• Formula: C36 H24 Cl6 Fe3 N6 O
• Calculated formula: C36 H24 Cl6 Fe3 N6 O
• SMILES: [Fe](Cl)(Cl)(Cl)O[Fe](Cl)(Cl)Cl.[Fe]123([n]4cccc5c4c4[n]1cccc4cc5)([n]1cccc4c1c1[n]2cccc1cc4)[n]1cccc2c1c1[n]3cccc1cc2
• Title of publication: Tris(1,10-phenanthroline)iron(II) μ-oxido-bis[trichloridoferrate(III)]
• Authors of publication: Ling, Chun; Song, Li; Wang, Xinping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1232 - m1233
• a: 11.422 ± 0.002 Å
• b: 13.357 ± 0.003 Å
• c: 14.045 ± 0.003 Å
• α: 77.61 ± 0.03°
• β: 89.16 ± 0.03°
• γ: 65.99 ± 0.03°
• Cell volume: 1905.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes