Information card for entry 7019206

Structure parameters

• Formula: C30 H56 Mo8 N12 O32
• Calculated formula: C30 H56 Mo8 N12 O32
• Title of publication: New insights into the mechanism of oxodiperoxomolybdenum catalysed olefin epoxidation and the crystal structures of several oxo-peroxo molybdenum complexes.
• Authors of publication: Herbert, Matthew; Montilla, Francisco; Alvarez, Eleuterio; Galindo, Agustín
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 23
• Pages of publication: 6942 - 6956
• a: 21.4186 ± 0.001 Å
• b: 11.9572 ± 0.0006 Å
• c: 23.9117 ± 0.0011 Å
• α: 90°
• β: 101.864 ± 0.001°
• γ: 90°
• Cell volume: 5993.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1241
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.2055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No