Information card for entry 4120766

Structure parameters

• Formula: C84 H78 F12 N6 O4 P6 Re2
• Calculated formula: C84 H72 F12 N6 O4 P6 Re2
• SMILES: c12cccc[n]1[Re]1(C#[O])(C#[O])([n]3ccccc23)[P](c2ccccc2)(c2ccccc2)CCCC[P](c2ccccc2)(c2ccccc2)[Re]2(C#[O])(C#[O])([n]3ccccc3c3cccc[n]23)[P](c2ccccc2)(c2ccccc2)CCCC[P]1(c1ccccc1)c1ccccc1.N#CC.[P](F)(F)(F)(F)(F)[F-].N#CC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Ring-Shaped Re(I) Multinuclear Complexes with Unique Photofunctional Properties
• Authors of publication: Tatsuki Morimoto; Chiaki Nishiura; Marina Tanaka; Jana Rohacova; Yuki Nakagawa; Yusuke Funada; Kazuhide Koike; Youhei Yamamoto; Sayaka Shishido; Tatsuhiro Kojima; Takuro Saeki; Tomoji Ozeki; Osamu Ishitani
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 13266 - 13269
• a: 11.0295 ± 0.0002 Å
• b: 12.7894 ± 0.0002 Å
• c: 16.0576 ± 0.0003 Å
• α: 100.234 ± 0.001°
• β: 93.668 ± 0.001°
• γ: 112.633 ± 0.001°
• Cell volume: 2035.44 ± 0.06 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: 0.04
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No