Information card for entry 1573721

Structure parameters

• Formula: C58 H52 Co F24 N6 O P4 Re2
• Calculated formula: C54 H42 Co F24 N6 P4 Re2
• Title of publication: The role of [Re(η6-arene)2]+ substituents in electro- and photocatalytic water reduction with [Co(terpy)2]3+ catalysts
• Authors of publication: Csucker, Joshua; Grundmann, Nora Sophie; Blacque, Olivier; Spingler, Bernhard; Alberto, Roger
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 1627 - 1633
• a: 22.3235 ± 0.0002 Å
• b: 15.8553 ± 0.0001 Å
• c: 17.5716 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6219.39 ± 0.1 ų
• Cell temperature: 160 ± 0.1 K
• Ambient diffraction temperature: 160 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No