Information card for entry 2203972

Structure parameters

• Chemical name: Dimolybdato(VI)bis[(1,10-phenanthroline)iron(II)]
• Formula: C24 H16 Fe2 Mo2 N4 O8
• Calculated formula: C24 H16 Fe2 Mo2 N4 O8
• SMILES: [Mo]1(=O)(=O)O[Fe]23([n]4cccc5c4c4[n]2cccc4cc5)O[Mo]2(=O)=[O][Fe]4([n]5cccc6c5c5[n]4cccc5cc6)O[Mo](=O)(=O)O[Fe]4(O2)([n]2cccc5c2c2[n]4cccc2cc5)O[Mo](O3)(=O)=[O][Fe]2(O1)[n]1cccc3c1c1[n]2cccc1cc3
• Title of publication: Rerefinement of poly[[tetra-μ-oxo-dioxobis(1,10-phenanthroline-κ^2^<i>N,N</i>)dimolybdenum(VI)iron(II)]-di-μ-oxo] in the centrosymmetric space group <i>P</i>2~1~/<i>m</i>
• Authors of publication: Zhang, Xian-Ming; Fang, Rui-Qin; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m1049 - m1050
• a: 8.873 ± 0.001 Å
• b: 6.567 ± 0.001 Å
• c: 10.629 ± 0.002 Å
• α: 90°
• β: 100.437 ± 0.002°
• γ: 90°
• Cell volume: 609.09 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes