Information card for entry 7063536

Structure parameters

• Formula: C120 H106 N8 Ni4 O5 P8 S8
• Calculated formula: C120 H106 N8 Ni4 O5 P8 S8
• Title of publication: Supramolecular and homogeneous electrocatalytic HER properties of new heteroleptic cyanoacetamide dithiolate based Ni(II) tertiary phosphanes: Effect of co-ligand flexibility on electrocatalytic performance
• Authors of publication: Srivastava, Shreya; Daniel, Omoding; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Ahmed, Sarfaraz; Kumar, Abhinav
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 22.2728 ± 0.0008 Å
• b: 13.758 ± 0.0003 Å
• c: 20.7491 ± 0.0006 Å
• α: 90°
• β: 115.802 ± 0.004°
• γ: 90°
• Cell volume: 5724.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 149.9 ± 0.5 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: 0.0946
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No