Information card for entry 1516879

Structure parameters

• Formula: C20 H24 Cu N3 Na O9
• Calculated formula: C20 H24 Cu N3 Na O9
• SMILES: [Na]1234([O]([Cu]567)c8c([O]1C)cccc8C=[N]6CC(C[N]7=Cc1c(c([O]2C)ccc1)[O]53)O)(ON(=O)=[O]4)[OH]C
• Title of publication: Diversity in supramolecular self-assembly through hydrogen-bonding interactions of non-coordinated aliphatic -OH group in a series of heterodinuclear CuIIM (M = NaI, ZnII, HgII, SmIII, BiIII, PbII and CdII)
• Authors of publication: Malay Dolai; Tarun Mistri; Anangamohan Panja; Mahammad Ali
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 399
• Pages of publication: 95 - 104
• a: 16.901 ± 0.003 Å
• b: 7.4655 ± 0.0012 Å
• c: 18.388 ± 0.003 Å
• α: 90°
• β: 102.384 ± 0.002°
• γ: 90°
• Cell volume: 2266.1 ± 0.7 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: 0.0671
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No