Information card for entry 4331078

Structure parameters

• Formula: C17 H16 Cu Hg N8 O2
• Calculated formula: C17 H16 Cu Hg N8 O2
• 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: 14.1481 ± 0.0006 Å
• b: 14.8246 ± 0.0006 Å
• c: 9.8662 ± 0.0004 Å
• α: 90°
• β: 108.243 ± 0.001°
• γ: 90°
• Cell volume: 1965.33 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0486
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No