Information card for entry 4331738

Structure parameters

• Formula: C49 H20 F15 Mo N4 O
• Calculated formula: C49 H20 F15 Mo N4 O
• SMILES: [Mo]123(=O)n4c5ccc4C(=c4ccc(=C(c6ccc(C(=c7ccc5[n]37)c3c(F)c(F)c(F)c(F)c3F)n26)c2c(F)c(F)c(F)c(F)c2F)n14)c1c(F)c(F)c(F)c(F)c1F.c1ccccc1.c1ccccc1
• Title of publication: Synthesis and Full Characterization of Molybdenum and Antimony Corroles and Utilization of the Latter Complexes as Very Efficient Catalysts for Highly Selective Aerobic Oxygenation Reactions
• Authors of publication: Luobeznova, Inna; Raizman, Marina; Goldberg, Israel; Gross, Zeev
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 386 - 394
• a: 8.4738 ± 0.0001 Å
• b: 13.6757 ± 0.0003 Å
• c: 19.525 ± 0.0005 Å
• α: 70.772 ± 0.0011°
• β: 84.544 ± 0.0015°
• γ: 72.697 ± 0.0014°
• Cell volume: 2039.74 ± 0.08 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0571
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No