Information card for entry 1571727

Structure parameters

• Formula: C16 H23 Co I2 N2
• Calculated formula: C16 H23 Co I2 N2
• Title of publication: A cobalt molecular catalyst for hydrogen evolution reaction with remarkable activity in phosphate buffered water solution
• Authors of publication: Trotta, Caterina; Dahiya, Pardeep; Baldinelli, Lorenzo; Menendez Rodriguez, Gabriel; Chakraborty, Priyanka; Bistoni, Giovanni; De Angelis, Filippo; Sundararaju, Basker; Macchioni, Alceo
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 3699 - 3706
• a: 9.2861 ± 0.0003 Å
• b: 15.141 ± 0.0005 Å
• c: 15.1451 ± 0.0006 Å
• α: 118.4 ± 0.001°
• β: 95.188 ± 0.001°
• γ: 95.18 ± 0.001°
• Cell volume: 1843.74 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0618
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No