Information card for entry 1557723

Structure parameters

• Formula: C27 H30 Br2 Co N4 O7 S2
• Calculated formula: C27 H30 Br2 Co N4 O7 S2
• Title of publication: Mechanistic insights into photocatalysis and over two days of stable H2 generation in electrocatalysis by a molecular cobalt catalyst immobilized on TiO2
• Authors of publication: Weder, Nicola; Probst, Benjamin; Sévery, Laurent; Fernández-Terán, Ricardo J.; Beckord, Jan; Blacque, Olivier; Tilley, S. David; Hamm, Peter; Osterwalder, Jürg; Alberto, Roger
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 8
• Pages of publication: 2549 - 2560
• a: 8.1545 ± 0.0003 Å
• b: 11.7917 ± 0.0005 Å
• c: 16.3115 ± 0.0004 Å
• α: 107.981 ± 0.003°
• β: 96.136 ± 0.003°
• γ: 103.72 ± 0.003°
• Cell volume: 1421.47 ± 0.1 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No