Information card for entry 4073061

Structure parameters

• Formula: C27 H18 Br F6 N3 O3 P Re
• Calculated formula: C27 H18 Br F6 N3 O3 P Re
• SMILES: c12[n](c3c(cc2)cccc3)[Re](C#[O])(C#[O])(C#[O])([n]2ccc(CBr)cc2)[n]2c1ccc1ccccc21.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Syntheses and Properties of Bimetallic Chromophore-Quencher Assemblies Containing Ruthenium(II) and Rhenium(I) Centers
• Authors of publication: Coe, Benjamin J.; Curati, Naomi R. M.; Fitzgerald, Emma C.; Coles, Simon J.; Horton, Peter N.; Light, Mark E.; Hursthouse, Michael B.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 9
• Pages of publication: 2318
• a: 11.4905 ± 0.0002 Å
• b: 12.8508 ± 0.0002 Å
• c: 19.4117 ± 0.0004 Å
• α: 90°
• β: 107.22°
• γ: 90°
• Cell volume: 2737.89 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0517
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No