Information card for entry 2234909

Structure parameters

• Chemical name: Aquabis[<i>N</i>'-(1,3-dithiolan-2-ylidene)-2-hydroxybenzohydrazidato(0.5-)- κ^2^<i>N</i>',<i>O</i>]sodium(I)
• Formula: C20 H21 N4 Na O5 S4
• Calculated formula: C20 H21 N4 Na O5 S4
• SMILES: C1(c2c(cccc2)O)=[O][Na]2([N](=C3SCCS3)N1)([OH2])[N](NC(=[O]2)c1c(cccc1)O)=C1SCCS1
• Title of publication: Aquabis[<i>N</i>'-(1,3-dithiolan-2-ylidene)-2-hydroxybenzohydrazidato(0.5{-})-κ^2^<i>N</i>',<i>O</i>]sodium(I)
• Authors of publication: Bouchameni, Chahra; Beghidja, Chahrazed; Beghidja, Adel; Boutebdja, Mehdi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m827 - m828
• a: 16.696 ± 0.0016 Å
• b: 5.933 ± 0.0003 Å
• c: 13.524 ± 0.0012 Å
• α: 90°
• β: 117.804 ± 0.003°
• γ: 90°
• Cell volume: 1184.99 ± 0.17 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes