Information card for entry 4321500

Structure parameters

• Chemical name: (1,3-dimethyl tetra-p-tert-butylcalix[4]arene-O1,O2,O4)dichlorooxotungsten(VI)
• Formula: C47 H59 Cl5 O5 W
• Calculated formula: C47 H32 Cl5 O5 W
• 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: 10.242 ± 0.002 Å
• b: 15.71 ± 0.002 Å
• c: 16.236 ± 0.005 Å
• α: 88.64 ± 0.03°
• β: 79.91 ± 0.03°
• γ: 78.67 ± 0.02°
• Cell volume: 2521.7 ± 1 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: 0.0352
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No