Information card for entry 1557722

Structure parameters

• Formula: C36 H46 N4 O6 P2
• Calculated formula: C36 H46 N4 O6 P2
• SMILES: c12cccc(c3cccc(C(C)(c4cccc(c5cccc(C1(C)CCP(=O)(OCC)OCC)n5)n4)CCP(=O)(OCC)OCC)n3)n2
• 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: 9.437 ± 0.0002 Å
• b: 10.4908 ± 0.0003 Å
• c: 18.5143 ± 0.0004 Å
• α: 96.9776 ± 0.0019°
• β: 99.2858 ± 0.0019°
• γ: 104.161 ± 0.002°
• Cell volume: 1728.97 ± 0.08 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No