Information card for entry 7007903

Structure parameters

• Common name: 7+
• Formula: C22 H29 F6 N2 O6 P2 Re
• Calculated formula: C22 H29 F6 N2 O6 P2 Re
• SMILES: C(#[O])[Re]1(C#[O])(C#[O])([n]2ccccc2c2cccc[n]12)[P](OC(C)C)(OC(C)C)OC(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Effect of intramolecular pi-pi and CH-pi interactions between ligands on structure, electrochemical and spectroscopic properties of fac-[Re(bpy)(CO)3(PR3)]+(bpy = 2,2'-bipyridine; PR3= trialkyl or triarylphosphines).
• Authors of publication: Tsubaki, Hideaki; Tohyama, Shigeki; Koike, Kazuhide; Saitoh, Hideki; Ishitani, Osamu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 2
• Pages of publication: 385 - 395
• a: 8.793 ± 0.003 Å
• b: 11.66 ± 0.01 Å
• c: 16.127 ± 0.006 Å
• α: 99.49 ± 0.06°
• β: 102.22 ± 0.03°
• γ: 106.75 ± 0.05°
• Cell volume: 1501.7 ± 1.6 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: 0.0964
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.1979
• Weighted residual factors for all reflections included in the refinement: 0.2296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No