Information card for entry 1571728

Structure parameters

• Chemical name: Complex-2
• Formula: C17 H25 Co I2 N2
• Calculated formula: C17 H25 Co I2 N2
• SMILES: I[Co]12345([n]6ccccc6C[NH]1C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.[I-]
• 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: 8.202 ± 0.0007 Å
• b: 9.8816 ± 0.0009 Å
• c: 12.3164 ± 0.0011 Å
• α: 89.106 ± 0.002°
• β: 83.431 ± 0.002°
• γ: 76.17 ± 0.002°
• Cell volume: 962.86 ± 0.15 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 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: 0.0307
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 0.7766
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No