Information card for entry 1542463

Structure parameters

• Chemical name: Tetrakis(μ~2~-diphenylphosphinato-κ^2^<i>O</i>,<i>O</i>')tetra-μ~3~-oxido-tetraoxidohexamolybdenum(V)
• Formula: C48 H40 Mo4 O16 P4
• Calculated formula: C48 H40 Mo4 O16 P4
• SMILES: [Mo]12345([Mo]6789([O]1[Mo]1%10([Mo]([O]46)([O]51)([O]7%10)(=O)([O]=P(O8)(c1ccccc1)c1ccccc1)OP(=[O]3)(c1ccccc1)c1ccccc1)(=O)([O]=P(O2)(c1ccccc1)c1ccccc1)OP(=[O]9)(c1ccccc1)c1ccccc1)=O)=O
• Title of publication: Tetrakis(μ~2~-diphenylphosphinato-κ^2^<i>O</i>,<i>O</i>')tetra-μ~3~-oxido-tetraoxidohexamolybdenum(V)
• Authors of publication: Mota Merelo de Aguiar, Sara Raquel; Stöger, Berthold; Weil, Matthias; Kirchner, Karl
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 1
• Pages of publication: x160036
• a: 16.1061 ± 0.0019 Å
• b: 19.891 ± 0.002 Å
• c: 15.254 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4886.9 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.272
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes