Information card for entry 1516880

Structure parameters

• Formula: C19 H20 Cu N4 O11 Pb
• Calculated formula: C19 H20 Cu N4 O11 Pb
• SMILES: [Pb]123([O]4[Cu]56[O]3c3c([O]2C)cccc3C=[N]6CC(C[N]5=Cc2c4c([O]1C)ccc2)O)ON(=O)=O.O=N(=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: 8.6408 ± 0.0002 Å
• b: 11.2327 ± 0.0003 Å
• c: 11.8696 ± 0.0003 Å
• α: 81.601 ± 0.001°
• β: 84.574 ± 0.001°
• γ: 82.459 ± 0.001°
• Cell volume: 1126.5 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No