Information card for entry 4073062

Structure parameters

• Formula: C31 H25 F6 N3 O6 P Re
• Calculated formula: C31 H25 F6 N3 O6 P Re
• SMILES: [Re]1([n]2c3ccccc3ccc2c2ccc3ccccc3[n]12)([n]1ccc(cc1)COC=O)(C#[O])(C#[O])C#[O].CC(=O)C.[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: 13.4828 ± 0.0016 Å
• b: 14.1333 ± 0.0009 Å
• c: 16.697 ± 0.003 Å
• α: 90°
• β: 102.1 ± 0.013°
• γ: 90°
• Cell volume: 3111 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.0375
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No