Information card for entry 1556702

Structure parameters

• Chemical name: Bis{2,6-bis[(<i>E</i>)-(4-fluorobenzylimino)methyl]pyridine}nickel(II) dinitrate dihydrate
• Formula: C42 H38 F4 N8 Ni O8
• Calculated formula: C42 H38 F4 N8 Ni O8
• SMILES: [Ni]1234([n]5c(cccc5C=[N]1Cc1ccc(F)cc1)C=[N]2Cc1ccc(F)cc1)[n]1c(cccc1C=[N]3Cc1ccc(F)cc1)C=[N]4Cc1ccc(F)cc1.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O
• Title of publication: Bis{2,6-bis[(<i>E</i>)-(4-fluorobenzylimino)methyl]pyridine}nickel(II) dinitrate dihydrate
• Authors of publication: Johnson, Corey R.; Basaran, Ismet; Rhaman, Md Mhahabubur; Powell, Douglas R.; Hossain, Md. Alamgir
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 12
• Pages of publication: x191688
• a: 17.0353 ± 0.0013 Å
• b: 18.7759 ± 0.0014 Å
• c: 25.4659 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8145.3 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes