Information card for entry 7004501

Structure parameters

• Common name: tetra(rhenium(tri-carbonyl)(bipyridin)) (m4-(2,3,5,6- tetrafluoro-7,7,8,8-tetracyano-p-quinodimethane))
• Chemical name: tetra(rhenium(tri-carbonyl)(bipyridin)) {m4-(2,3,5,6-tetrafluoro-7,7,8,8-tetracyano-p-quinodimethane)}
• Formula: C66 H36 Cl4 F22 N12 O12 P3 Re4
• Calculated formula: C66 H36 Cl4 F22 N12 O12 P3 Re4
• SMILES: C(#[O])[Re]1(C#[O])(C#[O])([N]#CC(C#[N][Re]2(C#[O])(C#[O])(C#[O])[n]3ccccc3c3[n]2cccc3)=C2C(F)=C(C(=C(C#[N][Re]3(C#[O])(C#[O])(C#[O])[n]4ccccc4c4[n]3cccc4)C#[N][Re]3(C#[O])(C#[O])(C#[O])[n]4ccccc4c4[n]3cccc4)C(=C2F)F)F)[n]2c(c3[n]1cccc3)cccc2.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl
• Title of publication: A tetranuclear organorhenium(i) complex of the 2,3,5,6-tetrafluoro-7,7,8,8-tetracyano-p-quinodimethane radical anion, TCNQF4˙−
• Authors of publication: Maity, Amarendra N.; Sarkar, Biprajit; Niemeyer, Mark; Sieger, Monika; Duboc, Carole; Zalis, Stanislav; Kaim, Wolfgang
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 42
• Pages of publication: 5749 - 5753
• a: 17.542 ± 0.002 Å
• b: 9.301 ± 0.005 Å
• c: 26.235 ± 0.008 Å
• α: 90°
• β: 107.5 ± 0.017°
• γ: 90°
• Cell volume: 4082 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.1432
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.2088
• Weighted residual factors for all reflections included in the refinement: 0.2264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No