Information card for entry 1516876

Structure parameters

• Formula: C19 H22 Bi Cu N5 O15
• Calculated formula: C19 H22 Bi Cu N5 O15
• SMILES: [Bi]12345(ON(=O)=[O]5)([O]5[Cu]67([O]3c3c([O]2C)cccc3C=[N]6CC(C[N]7=Cc2cccc(c52)[O]1C)O)[OH2])([O]=N(=O)O4)ON(=O)=O
• 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: 8.9716 ± 0.0002 Å
• b: 28.4099 ± 0.0008 Å
• c: 10.4894 ± 0.0003 Å
• α: 90°
• β: 105.737 ± 0.002°
• γ: 90°
• Cell volume: 2573.35 ± 0.12 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: 0.0438
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 0.765
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No