Information card for entry 7701600

Structure parameters

• Formula: C49 H44 Br8 O P2 S6 Tc6
• Calculated formula: C49 H44 Br8 O P2 S6 Tc6
• Title of publication: Synthesis, structures, redox properties, and theoretical calculations of thiohalide capped octahedral hexanuclear technetium(iii) clusters.
• Authors of publication: Yoshimura, Takashi; Nagata, Kojiro; Matsuda, Ayumi; Omote, Toshiki; Kino, Yasushi; Takayama, Tsutomu; Sekine, Tsutomu; Shinohara, Atsushi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 37
• Pages of publication: 14085 - 14095
• a: 10.161 ± 0.003 Å
• b: 21.436 ± 0.006 Å
• c: 14.254 ± 0.004 Å
• α: 90°
• β: 93.548 ± 0.014°
• γ: 90°
• Cell volume: 3098.7 ± 1.5 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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 all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No