Information card for entry 7241159

Structure parameters

• Formula: C46 H46 N16 O8 Zn4
• Calculated formula: C46 H46 N16 O8 Zn4
• Title of publication: Methylene spacer regulated variation in supramolecular assembly of zinc(II) dicyanamide complexes with reduced Schiff base ligands: Synthesis, structure and DFT study
• Authors of publication: Chattopadhyay, Shouvik; Frontera, Antonio; Karmakar, Mainak
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 9.186 ± 0.007 Å
• b: 11.456 ± 0.008 Å
• c: 12.719 ± 0.01 Å
• α: 105.944 ± 0.015°
• β: 91.465 ± 0.013°
• γ: 92.25 ± 0.013°
• Cell volume: 1285.1 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No