Information card for entry 7063261

Structure parameters

• Formula: C58 H64 B Co O4 P4 S4
• Calculated formula: C58 H64 B Co O4 P4 S4
• Title of publication: New Heteroleptic bis-(diphenylphosphino)ethane appended dialkyldithiophosphatecobalt(III) cations: Apt electrocatalysts for heterogeneous Oxygen Evolution Reaction and homogeneous Hydrogen Evolution Reaction
• Authors of publication: Srivastava, Devyani; Kushwaha, Aparna; Daniel, Omoding; Kociok-Köhn, Gabriele; Gosavi, Suresh; Chauhan, Ratna; Muddassir, Mohd.; Kumar, Abhinav
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 11.492 ± 0.0007 Å
• b: 18.982 ± 0.0013 Å
• c: 25.974 ± 0.0019 Å
• α: 90.966 ± 0.006°
• β: 93.44 ± 0.006°
• γ: 98.915 ± 0.005°
• Cell volume: 5585.5 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 149.9 ± 0.6 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: 0.0982
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No