Information card for entry 4338271

Structure parameters

• Formula: C24 H18 N8 Ni O2
• Calculated formula: C24 H18 N8 Ni O2
• SMILES: c1cccc2C=[N]3N=C(c4ccncc4)O[Ni]453([n]12)[n]1ccccc1C=[N]4N=C(c1ccncc1)O5
• Title of publication: Redox-Active Porous Coordination Polymers Prepared by Trinuclear Heterometallic Pivalate Linking with the Redox-Active Nickel(II) Complex: Synthesis, Structure, Magnetic and Redox Properties, and Electrocatalytic Activity in Organic Compound Dehalogenation in Heterogeneous Medium.
• Authors of publication: Lytvynenko, A. S.; Kolotilov, S. V.; Kiskin, M. A.; Cador, O.; Golhen, S.; Aleksandrov, G. G.; Mishura, A. M.; Titov, V. E.; Ouahab, L.; Eremenko, I. L.; Novotortsev, V. M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 4970 - 4979
• a: 8.2395 ± 0.0002 Å
• b: 20.3085 ± 0.0009 Å
• c: 13.6924 ± 0.0005 Å
• α: 90°
• β: 102.441 ± 0.002°
• γ: 90°
• Cell volume: 2237.37 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No