Information card for entry 1516875

Structure parameters

• Formula: C19 H22 Cu N5 O15 Sm
• Calculated formula: C19 H22 Cu N5 O15 Sm
• SMILES: [Sm]123456(ON(=[O]1)=O)([O]1[Cu]78([O]2c2c([O]3C)cccc2C=[N]7CC(C[N]8=Cc2cccc(c12)[O]4C)O)[OH2])([O]=N(=O)O6)[O]=N(=O)O5
• 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: 9.1433 ± 0.0003 Å
• b: 28.5999 ± 0.0009 Å
• c: 10.3536 ± 0.0003 Å
• α: 90°
• β: 105.629 ± 0.002°
• γ: 90°
• Cell volume: 2607.34 ± 0.14 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.1882
• Weighted residual factors for all reflections included in the refinement: 0.1934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No