Information card for entry 7019938

Structure parameters

• Formula: C23 H26 F12 N4 O3 P2 Re
• Calculated formula: C23 H26 F12 N4 O3 P2 Re
• SMILES: [Re]1([n]2ccc(cc2c2[n]1ccc(c2)C[N+](CC)(CC)CC)C)([N]#CC)(C#[O])(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, structure, photophysics and electrochemiluminescence of Re(i) tricarbonyl complexes with cationic 2,2-bipyridyl ligands.
• Authors of publication: Li, Mei-Jin; Liu, Xing; Shi, Yun-Qin; Xie, Rui-Jia; Wei, Qiao-Hua; Chen, Guo-Nan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 35
• Pages of publication: 10612 - 10618
• a: 8.242 ± 0.0016 Å
• b: 14.566 ± 0.003 Å
• c: 25.304 ± 0.005 Å
• α: 90°
• β: 92.72 ± 0.03°
• γ: 90°
• Cell volume: 3034.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0166
• Residual factor for significantly intense reflections: 0.0149
• Weighted residual factors for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections included in the refinement: 0.0376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.75 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No