Information card for entry 7702163

Structure parameters

• Formula: C34 H42 Mo N4 O7
• Calculated formula: C34 H42 Mo N4 O7
• Title of publication: Oxidoperoxidomolybdenum(vi) complexes with acylpyrazolonate ligands: synthesis, structure and catalytic properties.
• Authors of publication: Begines, Emilio; Carrasco, Carlos J.; Montilla, Francisco; Álvarez, Eleuterio; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Galindo, Agustín
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 47
• Journal issue: 1
• Pages of publication: 197 - 208
• a: 9.7458 ± 0.0002 Å
• b: 20.3853 ± 0.0004 Å
• c: 17.2757 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3432.18 ± 0.11 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No