Information card for entry 7715564

Structure parameters

• Chemical name: NK_293
• Formula: C24 H16 N2 O2
• Calculated formula: C24 H16 N2 O2
• SMILES: Oc1ccc2ccccc2c1/C=N/Nc1c2c3c(cccc3C=CC2=O)cc1
• Title of publication: Designing one-compartment H₂O₂ fuel cell using electroactive phenalenyl-based [Fe₂(hnmh-PLY)₃] complex as the cathode material.
• Authors of publication: Kamboj, Nisha; Dey, Ayan; Birara, Sunita; Majumder, Moumita; Sengupta, Srijan; Metre, Ramesh K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 7152 - 7162
• a: 4.641 ± 0.0008 Å
• b: 13.252 ± 0.003 Å
• c: 27.377 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1683.8 ± 0.6 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No