Information card for entry 7116596

Structure parameters

• Formula: C67 H40 Cl2 N4 O7 Re2
• Calculated formula: C67 H40 Cl2 N4 O7 Re2
• 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: 15.67 ± 0.0002 Å
• b: 16.5072 ± 0.0003 Å
• c: 21.2401 ± 0.0004 Å
• α: 90°
• β: 96.244 ± 0.002°
• γ: 90°
• Cell volume: 5461.54 ± 0.16 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• 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: 0.0803
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No