Information card for entry 4325174

Structure parameters

• Formula: C43 H51 F3 N3 O6 Re S
• Calculated formula: C43 H51 F3 N3 O6 Re S
• SMILES: [Re](C#[O])(C#[O])(C#[O])(C#[N]c1c(cccc1C(C)C)C(C)C)(C#[N]c1c(cccc1C(C)C)C(C)C)C#[N]c1c(cccc1C(C)C)C(C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Synthesis, Functionalization, Characterization, and Photophysical Study of Carbonyl-Containing Isocyano Rhenium(I) Diimine Complexes
• Authors of publication: Apple Wai-Yi Cheung; Larry Tso-Lun Lo; Chi-Chiu Ko; Shek-Man Yiu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4798 - 4810
• a: 10.8108 ± 0.0003 Å
• b: 14.2707 ± 0.0004 Å
• c: 15.7888 ± 0.0004 Å
• α: 87.798 ± 0.002°
• β: 76.286 ± 0.002°
• γ: 71.859 ± 0.002°
• Cell volume: 2247.14 ± 0.11 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0196
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.0461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No