Information card for entry 2234672

Structure parameters

• Chemical name: Tetrakis[μ~3~-4-nitro-<i>N</i>-(5-phenyl-1,3,4-oxadiazol-2- yl)benzamidato]tetrakis[methanolsodium(I)]
• Formula: C64 H52 N16 Na4 O20
• Calculated formula: C64 H52 N16 Na4 O20
• SMILES: [Na]123([OH]C)[O]4C(c5ccc(cc5)N(=O)=O)=Nc(oc5c6ccccc6)[n]1[n]5[Na]15([OH]C)[O]2C(c2ccc(cc2)N(=O)=O)=Nc(oc2c6ccccc6)[n]1[n]2[Na]12([OH]C)[O]5C(c5ccc(cc5)N(=O)=O)=Nc(oc5c6ccccc6)[n]1[n]5[Na]41([OH]C)[O]2C(c2ccc(cc2)N(=O)=O)=Nc(oc2c4ccccc4)[n]1[n]23
• Title of publication: Tetrakis[μ~3~-4-nitro-<i>N</i>-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamidato]tetrakis[methanolsodium(I)]
• Authors of publication: Yin, Guo-Jie; Zhang, Qing; Li, Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m570
• a: 15.6635 ± 0.0002 Å
• b: 15.6635 ± 0.0002 Å
• c: 27.1833 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6669.29 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes