Information card for entry 1516877

Structure parameters

• Formula: C19 H20 Cd Cu N4 O11
• Calculated formula: C19 H20 Cd Cu N4 O11
• SMILES: [Cd]12345([O](C)c6c7[O]4[Cu]48[O]2c2c([O]1C)cccc2C=[N]8CC(O)C[N]4=Cc7ccc6)([O]=N(=O)O3)[O]=N(O5)=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: 9.194 ± 0.001 Å
• b: 22.523 ± 0.005 Å
• c: 14.282 ± 0.003 Å
• α: 90°
• β: 130.07 ± 0.004°
• γ: 90°
• Cell volume: 2263.2 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1519
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No