Information card for entry 7120118

Structure parameters

• Common name: Molybdenum(VI) bis{5,10,15-tris(4-methylphenyl)corrole}
• Chemical name: Bis{5,10,15-tris(4-methylphenyl)corrolato}molybdenum(VI)
• Formula: C81 H60 Cl2 Mo N8
• Calculated formula: C80.998 H59.996 Cl1.998 Mo N8
• Title of publication: Relativistic effects in metallocorroles: comparison of molybdenum and tungsten biscorroles.
• Authors of publication: Alemayehu, Abraham B.; Vazquez-Lima, Hugo; McCormick, Laura J.; Ghosh, Abhik
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• a: 11.5246 ± 0.0006 Å
• b: 16.3595 ± 0.0008 Å
• c: 16.8248 ± 0.0009 Å
• α: 78.965 ± 0.003°
• β: 86.497 ± 0.003°
• γ: 84.031 ± 0.003°
• Cell volume: 3093.8 ± 0.3 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: 0.1148
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.1868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.8857 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No