Information card for entry 7701599

Structure parameters

• Formula: C72 H60 Br7 P3 S7 Tc6
• Calculated formula: C72 H60 Br7 P3 S7 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: 13.8962 ± 0.0004 Å
• b: 15.1967 ± 0.0004 Å
• c: 19.6412 ± 0.0007 Å
• α: 92.467 ± 0.001°
• β: 108.909 ± 0.001°
• γ: 100.722 ± 0.001°
• Cell volume: 3831.5 ± 0.2 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No