Information card for entry 4108576

Structure parameters

• Formula: C91 H64 F19.5 N6.5 O8 P7.25 Re3
• Calculated formula: C91 H64 F19.5 N6.5 O8 P7.25 Re3
• SMILES: [P](F)(F)(F)(F)(F)[F-].c1cccc2c3cccc[n]3[Re](C#[O])([P](c3ccccc3)(c3ccccc3)C#C[P]([Re]3([P](c4ccccc4)(c4ccccc4)C#C[P]([Re]4(C#[O])(C#[O])(C#[O])[n]5c(c6cccc[n]46)cccc5)(c4ccccc4)c4ccccc4)(C#[O])(C#[O])[n]4ccccc4c4cccc[n]34)(c3ccccc3)c3ccccc3)(C#[O])(C#[O])[n]12.CC#N.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Systematic Synthesis, Isolation, and Photophysical Properties of Linear-Shaped Re(I) Oligomers and Polymers with 2-20 Units
• Authors of publication: Youhei Yamamoto; Shuhei Sawa; Yusuke Funada; Tatsuki Morimoto; Magnus Falkenström; Hiroshi Miyasaka; Sayaka Shishido; Tomoji Ozeki; Kazuhide Koike; Osamu Ishitani
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 14659 - 14674
• a: 24.9802 ± 0.0001 Å
• b: 24.9802 ± 0.0001 Å
• c: 30.8551 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19253.9 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1562
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No