Information card for entry 4108575

Structure parameters

• Formula: C52 H36 F12 N4 O6 P4 Re2
• Calculated formula: C52 H36 F12 N4 O6 P4 Re2
• SMILES: c1[n]2c(c3cccc[n]3[Re]2([P](c2ccccc2)(C#C[P](c2ccccc2)(c2ccccc2)[Re]2([n]3ccccc3c3cccc[n]23)(C#[O])(C#[O])C#[O])c2ccccc2)(C#[O])(C#[O])C#[O])ccc1.[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: 11.927 ± 0.003 Å
• b: 12.952 ± 0.003 Å
• c: 9.752 ± 0.002 Å
• α: 94 ± 0.02°
• β: 94.03 ± 0.02°
• γ: 103.22 ± 0.02°
• Cell volume: 1457.2 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0448
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No