Information card for entry 7104134

Structure parameters

• Formula: C58 H74 Ni2 P2 S8
• Calculated formula: C58 H74 Ni2 P2 S8
• 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: 12.0009 ± 0.0007 Å
• b: 16.9077 ± 0.0011 Å
• c: 17.2253 ± 0.0012 Å
• α: 107.105 ± 0.001°
• β: 103.444 ± 0.001°
• γ: 103.622 ± 0.001°
• Cell volume: 3070.5 ± 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: 0.1536
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No