Information card for entry 7116677

Structure parameters

• Formula: C32 H23 B Cl4 F4 N3 O3 Re
• Calculated formula: C32 H23 B Cl4 F4 N3 O3 Re
• SMILES: [Re]1([n]2ccccc2c2[n]1c1c(cc2)c2c3ccccc3ccc2cc1)([n]1ccccc1)(C#[O])(C#[O])C#[O].C(Cl)Cl.C(Cl)Cl.[B](F)(F)(F)[F-]
• Title of publication: enantio-Enriched CPL-active helicene‒bipyridine‒rhenium complexes
• Authors of publication: Saleh, Nidal; Srebro, Monika; Reynaldo, Thibault; Vanthuyne, Nicolas; Toupet, Loïc; Chang, Victoria Y.; Muller, Gilles; Williams, J. A. Gareth; Roussel, Christian; Autschbach, Jochen; Crassous, Jeanne
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 18
• Pages of publication: 3754 - 3757
• a: 10.854 ± 0.0002 Å
• b: 24.7778 ± 0.0003 Å
• c: 13.4316 ± 0.0002 Å
• α: 90°
• β: 110.589 ± 0.002°
• γ: 90°
• Cell volume: 3381.54 ± 0.1 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0386
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7116597
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No