Information card for entry 2220399

Structure parameters

• Chemical name: Dimethanolbis[<i>N</i>'-(3-pyridylmethylene)benzohydrazide]sodium(I) iodide
• Formula: C28 H30 I N6 Na O4
• Calculated formula: C28 H30 I N6 Na O4
• SMILES: [Na]12([O]=C(N[N]1=Cc1cnccc1)c1ccccc1)([O]=C(N[N]2=Cc1cnccc1)c1ccccc1)([OH]C)[OH]C.[I-]
• Title of publication: Dimethanolbis[<i>N</i>'-(3-pyridylmethylene)benzohydrazide]sodium(I) iodide
• Authors of publication: Cui, Lian-Sheng; Yin, Han-Dong; Yang, Ming-Lei; Wang, Da-Qi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m38
• a: 8.6078 ± 0.0015 Å
• b: 13.1842 ± 0.0016 Å
• c: 13.2508 ± 0.0017 Å
• α: 90°
• β: 101.654 ± 0.001°
• γ: 90°
• Cell volume: 1472.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes