Information card for entry 7702162

Structure parameters

• Formula: C40 H39 Mo N2 O7 P
• Calculated formula: C40 H39 Mo N2 O7 P
• 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: 10.5112 ± 0.0006 Å
• b: 13.1936 ± 0.0007 Å
• c: 13.8181 ± 0.0008 Å
• α: 89.653 ± 0.002°
• β: 87.507 ± 0.002°
• γ: 71.931 ± 0.002°
• Cell volume: 1820.02 ± 0.18 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0285
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No