Information card for entry 7113358

Structure parameters

• Formula: C60 H74 Rh2 S8
• Calculated formula: C60 H74 Rh2 S8
• SMILES: [S]1[Rh]23456([c]7([c]2([c]3(C)[c]6([c]57C)C)C)C)Sc2c3cc(cc2[S]4c2c1c(Sc1c4c(cc(c1)C(C)(C)C)[S]1c5c(c(cc(c5)C(C)(C)C)S3)S[Rh]35671(S4)[c]1([c]3([c]6([c]7([c]51C)C)C)C)C)cc(c2)C(C)(C)C)C(C)(C)C
• Title of publication: Syntheses and structures of mono-, di- and tetranuclear rhodium or iridium complexes of thiacalix[4]arene derivatives.
• Authors of publication: Hirata, Kenji; Suzuki, Toshiaki; Noya, Ai; Takei, Izuru; Hidai, Masanobu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2005
• Journal issue: 29
• Pages of publication: 3718 - 3720
• a: 20.712 ± 0.01 Å
• b: 12.942 ± 0.006 Å
• c: 13.568 ± 0.006 Å
• α: 90°
• β: 99.764 ± 0.006°
• γ: 90°
• Cell volume: 3584 ± 3 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.225
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No