Information card for entry 7245730

Structure parameters

• Formula: C40 H36 N8 Ni O2
• Calculated formula: C40 H36 N8 Ni O2
• Title of publication: Green synthesis of a redox-active riboflavin-integrated Ni-MOF and its versatile electrocatalytic applications towards oxygen evolution and reduction, and HMF oxidation reactions
• Authors of publication: Sekar, Pandiaraj; Vasanthakumar, Punitharaj; Shanmugam, Ramasamy; Senthil Kumar, Shanmugam; Agnoli, Stefano; Deepak, Rajasekharan Jayakumari; Murugan, Karthik; Bhuvanesh, Nattamai; Karvembu, Ramasamy
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 23
• Pages of publication: 9233 - 9244
• a: 17.601 ± 0.002 Å
• b: 11.3637 ± 0.0015 Å
• c: 24.466 ± 0.003 Å
• α: 90°
• β: 93.413 ± 0.004°
• γ: 90°
• Cell volume: 4884.8 ± 1 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0914
• Weighted residual factors for significantly intense reflections: 0.2182
• Weighted residual factors for all reflections included in the refinement: 0.2214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No