Information card for entry 4108578

Structure parameters

• Formula: C128 H104 F24 N8 O10 P10 Re4
• Calculated formula: C128 H104 F24 N8 O10 P10 Re4
• SMILES: [Re]1([P](CC[P]([Re]2([P](CC[P]([Re]3([n]4c(c5[n]3cccc5)cccc4)(C#[O])(C#[O])C#[O])(c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)([n]3ccccc3c3[n]2cccc3)(C#[O])C#[O])(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)CC[P]([Re]2(C#[O])(C#[O])([n]3ccccc3c3[n]2cccc3)C#[O])(c2ccccc2)c2ccccc2)([n]2ccccc2c2[n]1cccc2)(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[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: 15.8437 ± 0.0007 Å
• b: 16.8427 ± 0.0005 Å
• c: 25.4088 ± 0.001 Å
• α: 78.1431 ± 0.0014°
• β: 85.046 ± 0.002°
• γ: 83.545 ± 0.005°
• Cell volume: 6579.7 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0688
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No