Information card for entry 2240057

Structure parameters

• Chemical name: {μ-6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}(methanol)(nitrato)nickel(II)sodium
• Formula: C19 H22 N3 Na Ni O8
• Calculated formula: C19 H22 N3 Na Ni O8
• SMILES: N1(=[O][Na]234(O1)([OH]C)[O]1c5c([O]2C)cccc5C=[N]2CC[N]5=Cc6cccc(c6[O]3[Ni]125)[O]4C)=O
• Title of publication: Crystal structure of {μ-6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}(methanol)(nitrato)nickel(II)sodium
• Authors of publication: Moroz, Olesia V.; Trush, Viktor A.; Sliva, Tatiana Yu.; Konovalova, Irina S.; Amirkhanov, Vladimir M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: 305 - 308
• a: 7.207 ± 0.001 Å
• b: 11.047 ± 0.001 Å
• c: 13.619 ± 0.001 Å
• α: 95.3 ± 0.01°
• β: 99.81 ± 0.01°
• γ: 99.05 ± 0.01°
• Cell volume: 1047.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0615
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes