Information card for entry 7063262

Structure parameters

• Formula: C75 H84 B Co O4.16 P5 S4.84
• Calculated formula: C75 H84 B Co O4.161 P5 S4.839
• 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: 11.4413 ± 0.0002 Å
• b: 30.6056 ± 0.0006 Å
• c: 21.3033 ± 0.0004 Å
• α: 90°
• β: 98.6417 ± 0.0019°
• γ: 90°
• Cell volume: 7375 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 149.9 ± 0.6 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No