Information card for entry 7712656

Structure parameters

• Formula: C30 H22 Cl N5 O Pd
• Calculated formula: C30 H22 Cl N5 O Pd
• SMILES: [Pd]12([n]3c(N=C4N2C(=Nc2[n]1ccc(c2)C)c1ccc(Oc2cc5c(cc2)cccc5)cc41)cc(cc3)C)Cl
• Title of publication: Synthesis, fabrication and characterization of 2-naphthyloxy group-substituted bis(2-pyridylimino)isoindoline and its derivatives as a positive electrode for vanadium redox flow battery applications.
• Authors of publication: Gümrükçü, Selin; Özçeşmeci, Mukaddes; Koçyiğit, Nilüfer; Kaya, Kerem; Gül, Ahmet; Şahin, Yücel; Özçeşmeci, İbrahim
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 16
• Pages of publication: 5265 - 5276
• a: 8.6324 ± 0.0009 Å
• b: 10.5581 ± 0.0012 Å
• c: 16.7354 ± 0.0017 Å
• α: 79.298 ± 0.007°
• β: 87.886 ± 0.007°
• γ: 70.496 ± 0.007°
• Cell volume: 1412.2 ± 0.3 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1901
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.2033
• Weighted residual factors for all reflections included in the refinement: 0.2409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No