Information card for entry 7717032

Structure parameters

• Formula: C46 H33 Br Cl Co N6 O6
• Calculated formula: C46 H33 Br Cl Co N6 O6
• Title of publication: Axial ligand induced high electrocatalytic hydrogen evolution activity of molecular cobaloximes in homo- and heterogeneous medium
• Authors of publication: Yadav, Jitendra Kumar; Singh, Baghendra; Mishra, Anjali; Pal, Sarvesh Kumar; Singh, Nanhai; Lama, Prem; Indra, Arindam; Kumar, Kamlesh
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 12.6333 ± 0.0012 Å
• b: 13.9675 ± 0.0015 Å
• c: 14.1353 ± 0.0015 Å
• α: 71.891 ± 0.003°
• β: 84.233 ± 0.003°
• γ: 65.507 ± 0.003°
• Cell volume: 2156.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0705
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No