Information card for entry 7101713

Structure parameters

• Formula: C36.5 H44 Mo N2 O5
• Calculated formula: C36.5 H44 Mo N2 O5
• Title of publication: Molecular oxygen activation by a molybdenum(IV) monooxo bis(beta-ketiminato) complex.
• Authors of publication: Lyashenko, Ganna; Saischek, Gerald; Pal, Aritra; Herbst-Irmer, Regine; Mösch-Zanetti, Nadia C
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 7
• Pages of publication: 701 - 703
• a: 11.7 ± 0.002 Å
• b: 12.012 ± 0.002 Å
• c: 12.815 ± 0.002 Å
• α: 77.95 ± 0.03°
• β: 73.18 ± 0.03°
• γ: 78.95 ± 0.03°
• Cell volume: 1669.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No