Information card for entry 4319008

Structure parameters

• Formula: C64 H88 F12 Ir4 N20 O18 S8
• Calculated formula: C64 H72 F12 Ir4 N20 O16 S8
• Title of publication: Cyclic Tetramers Composed of Rhodium(III), Iridium(III), or Ruthenium(II) Half-Sandwich and 6-Purinethiones
• Authors of publication: Kazuaki Yamanari; Rie Ito; Shiori Yamamoto; Takumi Konno; Akira Fuyuhiro; Kousuke Fujioka; Ryuichi Arakawa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6824 - 6830
• a: 15.215 ± 0.001 Å
• b: 40.176 ± 0.004 Å
• c: 14.946 ± 0.001 Å
• α: 90°
• β: 90.722 ± 0.002°
• γ: 90°
• Cell volume: 9135.4 ± 1.2 ų
• Cell temperature: 296.2 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: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.1961
• Goodness-of-fit parameter for all reflections included in the refinement: 2.336
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No