Information card for entry 7135463

Structure parameters

• Formula: C44 H47 Cl2 Fe N4 Ni2 O16
• Calculated formula: C44 H47 Cl2 Fe N4 Ni2 O16
• Title of publication: Heterometallic molecular Ni-salen catalysts for efficient electrocatalytic oxygen evolution reaction.
• Authors of publication: Bhadauriya, Kiran; Goyal, Ayusie; Kumar, Rakesh; Singh, Baghendra; Draksharapu, Apparao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 23
• Pages of publication: 6396 - 6399
• a: 18 ± 0.003 Å
• b: 20.4 ± 0.003 Å
• c: 12.978 ± 0.002 Å
• α: 90°
• β: 108.789 ± 0.006°
• γ: 90°
• Cell volume: 4511.6 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No