Information card for entry 1516878

Structure parameters

• Formula: C19 H20 Cl2 Cu Hg N2 O5
• Calculated formula: C19 H20 Cl2 Cu Hg N2 O5
• SMILES: [Hg]1(Cl)([O]2[Cu]34[O]1c1c(cccc1OC)C=[N]3CC(C[N]4=Cc1c2c(OC)ccc1)O)Cl
• 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: 12.1272 ± 0.0007 Å
• b: 13.0241 ± 0.0007 Å
• c: 13.6852 ± 0.0007 Å
• α: 90°
• β: 101.187 ± 0.004°
• γ: 90°
• Cell volume: 2120.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.0719
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No