Information card for entry 7717645

Structure parameters

• Formula: C49 H42 F6 Fe N Ni P3 S2
• Calculated formula: C49 H42 F6 Fe N Ni P3 S2
• Title of publication: Ni(II)-Dithiocarbamate and -diphosphine coordination complexes as pre-catalysts for electrochemical OER activity.
• Authors of publication: Pal, Sarvesh Kumar; Ansari, Toufik; Yadav, Chote Lal; Singh, Nanhai; Lama, Prem; Indra, Arindam; Kumar, Kamlesh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1597 - 1609
• a: 11.0237 ± 0.0011 Å
• b: 14.7281 ± 0.0015 Å
• c: 14.8606 ± 0.0016 Å
• α: 69.673 ± 0.003°
• β: 87.511 ± 0.003°
• γ: 89.058 ± 0.003°
• Cell volume: 2260.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No