Information card for entry 2001218

Structure parameters

• Formula: C42 H38 Br14 Mo6 O2 P2 S8
• Calculated formula: C42 H38 Br14 Mo6 O2 P2 S8
• Title of publication: Electrooxidation of the redox tertiary phosphine 4-(diphenylphosphino)-4',5,5'-trimethyltetrathiafulvalene (<i>P</i>~1~) and the structure of (<i>P</i>~1~O^.+^)~2~Mo~6~Br~14~^2{-^}
• Authors of publication: Jarchow, S.; Fourmigué, M.; Batail, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 1936 - 1939
• a: 10.941 ± 0.005 Å
• b: 14.585 ± 0.004 Å
• c: 21.201 ± 0.005 Å
• α: 90°
• β: 90.83 ± 0.03°
• γ: 90°
• Cell volume: 3383 ± 2 ų
• Cell temperature: 293 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.051
• Goodness-of-fit parameter for significantly intense reflections: 1.63
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No