Information card for entry 2000023

Structure parameters

• Formula: C104 H190 N2 P4 S8 W6
• Calculated formula: C104 H190 N2 P4 S8 W6
• Title of publication: Ligand Substitution Reactions of W6S8L6 with Tricyclohexylphosphine (L = 4-tert-Butylpyridine or n-Butylamine): 31P NMR and Structural Studies of W6S8(PCy3)n(4-tert-butylpyridine)6-n (0 < n <= 6) Complexes
• Authors of publication: Song Jin; D. Venkataraman; Francis J. DiSalvo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2747 - 2757
• a: 31.2094 ± 0.0002 Å
• b: 13.1764 ± 0.0002 Å
• c: 29.4518 ± 0.0005 Å
• α: 90°
• β: 111.321 ± 0.001°
• γ: 90°
• Cell volume: 11282.5 ų
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.0365
• Goodness-of-fit parameter for all reflections: 1.146
• Goodness-of-fit parameter for significantly intense reflections: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No