Information card for entry 4331080

Structure parameters

• Formula: C34 H32 Cd Cu2 N10 O4
• Calculated formula: C34 H32 Cd Cu2 N10 O4
• SMILES: [Cd]12([O]3[Cu]45[O]2c2ccccc2C=[N]4CCC[N]5=Cc2ccccc32)([O]2[Cu]34[O]1c1ccccc1C=[N]4CCC[N]3=Cc1c2cccc1)(N=N#N)N=N#N
• Title of publication: Differences in Nuclearity, Molecular Shapes, and Coordination Modes of Azide in the Complexes of Cd(II) and Hg(II) with a "Metalloligand" [CuL] (H2L =N,N'-Bis(salicylidene)-1,3-propanediamine): Characterization in Solid and in Solutions, and Theoretical Calculations
• Authors of publication: Lakshmi Kanta Das; Ramakant M. Kadam; Antonio Bauzá; Antonio Frontera; Ashutosh Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12407 - 12418
• a: 9.9049 ± 0.0009 Å
• b: 11.9411 ± 0.0011 Å
• c: 14.1966 ± 0.0014 Å
• α: 91.463 ± 0.001°
• β: 101.66 ± 0.001°
• γ: 90.685 ± 0.001°
• Cell volume: 1643.7 ± 0.3 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: 0.0589
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No