Information card for entry 4321499

Structure parameters

• Chemical name: (1,3-dimethyl tetra-p-tert-butylcalix[4]arene-O1,O2,O4)dichlorooxomolybdenum(VI)
• Formula: C49 H63 Cl5 Mo O5
• Calculated formula: C49 H46 Cl5 Mo O5
• Title of publication: Synthesis and Characterization of Monomeric Oxo Dichloro 1,3-Dialkyl p-tert-Butylcalix[4]arene Complexes of Molybdenum(VI,V) and Tungsten(VI,V)
• Authors of publication: Andrew J. Millar; Jonathan M. White; Christian J. Doonan; Charles G. Young
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5151 - 5155
• a: 13.23 ± 0.003 Å
• b: 14.95 ± 0.003 Å
• c: 15.799 ± 0.004 Å
• α: 95.87 ± 0.02°
• β: 112 ± 0.02°
• γ: 112.09 ± 0.01°
• Cell volume: 2574.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0651
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No