Information card for entry 2229634

Structure parameters

• Common name: Mo2(C13H9N2Br2)4
• Chemical name: Tetrakis[<i>μ</i>-<i>N</i>,<i>N</i>'-bis(4-bromophenyl) formamidinato-κ^2^<i>N</i>:<i>N</i>']dimolybdenum(II) tetrahydrofuran solvate
• Formula: C56 H44 Br8 Mo2 N8 O
• Calculated formula: C52 H36 Br8 Mo2 N8
• SMILES: N1(c2ccc(Br)cc2)[Mo]234[N](=CN(c5ccc(Br)cc5)[Mo]4(N(C=[N]2c2ccc(Br)cc2)c2ccc(Br)cc2)(N(C=[N]3c2ccc(Br)cc2)c2ccc(Br)cc2)[N](=C1)c1ccc(Br)cc1)c1ccc(Br)cc1
• Title of publication: Tetrakis[<i>{μ</i>}-<i>N</i>,<i>N</i>'-bis(4-bromophenyl)formamidinato-κ^2^<i>N</i>:<i>N</i>']dimolybdenum(II) tetrahydrofuran solvate
• Authors of publication: Han, L.-J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m514
• a: 21.795 ± 0.004 Å
• b: 10.077 ± 0.002 Å
• c: 29.967 ± 0.006 Å
• α: 90°
• β: 110.67 ± 0.03°
• γ: 90°
• Cell volume: 6158 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes