Information card for entry 4344086

Structure parameters

• Formula: C125 H104 F18 N6 O8 P9 Re3
• Calculated formula: C125 H104 F18 N6 O8 P9 Re3
• Title of publication: Trinuclear and Tetranuclear Re(I) Rings Connected with Phenylene, Vinylene, and Ethynylene Chains: Synthesis, Photophysics, and Redox Properties.
• Authors of publication: Rohacova, Jana; Sekine, Akiko; Kawano, Tsubasa; Tamari, Sho; Ishitani, Osamu
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 8769 - 8777
• a: 15.6641 ± 0.0003 Å
• b: 31.2541 ± 0.0006 Å
• c: 24.6261 ± 0.0005 Å
• α: 90°
• β: 92.462 ± 0.001°
• γ: 90°
• Cell volume: 12045 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No