Information card for entry 7032783

Structure parameters

• Formula: C27 H21 F6 N5 O3 P Re
• Calculated formula: C27 H21 F6 N5 O3 P Re
• SMILES: [Re]12(C#[O])([n]3c(cc(cc3c3[n]2cccc3)c2ccncc2)c2[n]1cccc2)([n]1ccccc1)C#[O].[P](F)(F)(F)(F)(F)[F-].O
• Title of publication: Synthesis of discrete Re(I) di- and tricarbonyl assemblies using a [4 ×1] directional bonding strategy.
• Authors of publication: Laramée-Milette, Baptiste; Lachance-Brais, Christophe; Hanan, Garry S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 1
• Pages of publication: 41 - 45
• a: 13.982 ± 0.0002 Å
• b: 8.1795 ± 0.0001 Å
• c: 24.0881 ± 0.0004 Å
• α: 90°
• β: 104.419 ± 0.001°
• γ: 90°
• Cell volume: 2668.08 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0263
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No