Information card for entry 8103121

Structure parameters

• Chemical name: nickel N,N'-bis(2-hydroxy-4-methoxysalicylidene)ethylenediaminato
• Formula: C18 H18 N2 Ni O4
• Calculated formula: C18 H18 N2 Ni O4
• SMILES: [Ni]123Oc4cc(ccc4C=[N]2CC[N]3=Cc2ccc(OC)cc2O1)OC
• Title of publication: Crystal structure of N,N'-bis(2-hydroxy-4-methoxysalicylidene)ethylenediaminatonickel(II), Ni(C18H18N2O4)
• Authors of publication: Saman Hajmohammadi; Masoumeh Tabatabaee; Sohrab Hajmohammadi; Nasim Basir Ghafoori; Masood Parvez
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 1
• Pages of publication: 131
• a: 25.8838 ± 0.0013 Å
• b: 6.3836 ± 0.0003 Å
• c: 9.9193 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1638.98 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No