Information card for entry 2202022

Structure parameters

• Chemical name: μ-ethylene-1,2-di-4-pyridyl-κ^2^N:N'-bis[fac-tricarbonyl(4,4'-tert-butyl- 2,2'-bipyridine)rhenium(I)] hexafluorophosphate dichloromethane solvate
• Formula: C56 H64 Cl4 F12 N6 O6 P2 Re2
• Calculated formula: C56 H64 Cl4 F12 N6 O6 P2 Re2
• SMILES: C(#[O])[Re]1(C#[O])(C#[O])([n]2ccc(cc2)CCc2cc[n](cc2)[Re]2(C#[O])(C#[O])(C#[O])[n]3ccc(cc3c3[n]2ccc(c3)C(C)(C)C)C(C)(C)C)[n]2c(cc(cc2)C(C)(C)C)c2[n]1ccc(c2)C(C)(C)C.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl
• Title of publication: A dinuclear rhenium complex, {[(C~18~H~24~N~2~)Re(CO)~3~]~2~(μ-C~12~H~12~N~2~)}(PF~6~)~2~·2CH~2~Cl~2~
• Authors of publication: Sun, Shih-Sheng; Tran, Dat T.; Zavalij, Peter Y.; Oliver, Scott R. J.; Lees, Alistair J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: m134 - m136
• a: 12.028 ± 0.0007 Å
• b: 10.206 ± 0.0006 Å
• c: 26.1366 ± 0.0014 Å
• α: 90°
• β: 95.695 ± 0.002°
• γ: 90°
• Cell volume: 3192.6 ± 0.3 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes