Information card for entry 7104136

Structure parameters

• Formula: C70 H114 P6 S8 W2
• Calculated formula: C70 H114 P6 S8 W2
• Title of publication: p-tert-Butyltetrathiatetramercaptocalix[4]arene as a sulfur-rich platform for molybdenum, tungsten and nickel.
• Authors of publication: Buccella, Daniela; Parkin, Gerard
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 3
• Pages of publication: 289 - 291
• a: 12.5194 ± 0.0009 Å
• b: 12.5419 ± 0.0009 Å
• c: 15.1273 ± 0.001 Å
• α: 67.232 ± 0.002°
• β: 77.144 ± 0.001°
• γ: 79.125 ± 0.001°
• Cell volume: 2121.3 ± 0.3 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 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: 0.0669
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No