Information card for entry 7043030

Structure parameters

• Formula: C29.25 H37.25 Mo N2.25 O4
• Calculated formula: C29.25 H37.25 Mo N2.25 O4
• Title of publication: Syntheses and catalytic oxotransfer activities of oxo molybdenum(vi) complexes of a new aminoalcohol phenolate ligand
• Authors of publication: Hossain, M. K.; Haukka, M.; Sillanpää, R.; Hrovat, D. A.; Richmond, M. G.; Nordlander, E.; Lehtonen, A.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 27.9302 ± 0.0015 Å
• b: 9.0371 ± 0.0004 Å
• c: 24.5199 ± 0.001 Å
• α: 90°
• β: 104.89 ± 0.005°
• γ: 90°
• Cell volume: 5981.2 ± 0.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No