Information card for entry 7701335

Structure parameters

• Formula: C51 H58 Mo N O5 P
• Calculated formula: C51 H58 Mo N O5 P
• Title of publication: Deoxydehydration of Polyols Catalyzed by a Molybdenum Di-oxo-Complex Supported by a Dianionic ONO Pincer Ligand.
• Authors of publication: Tran, Randy; Kilyanek, Stefan M.
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 9.9185 ± 0.0002 Å
• b: 14.9484 ± 0.0004 Å
• c: 16.3217 ± 0.0004 Å
• α: 97.5508 ± 0.001°
• β: 105.188 ± 0.0008°
• γ: 102.492 ± 0.0008°
• Cell volume: 2234.25 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0357
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0744
• 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: No