Information card for entry 1561041

Structure parameters

• Formula: C10 H30 Cu N4 O14 P4
• Calculated formula: C10 H30 Cu N4 O14 P4
• SMILES: P1(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1.[Cu]123[NH]4CC[NH]1CCC[NH]2CC[NH]3CCC4.[OH3+].[OH3+]
• Title of publication: First copper(II)-cyclophosphato complex with macrocyclic N-donor ligand: Single crystal structure elucidation with Hirshfeld surface analysis, optical, electrochemical and antioxidant properties
• Authors of publication: Hemissi, Hanène; Fezai, Ramzi; Mezni, Ali; Besbes-Hentati, Salma; Rzaigui, Mohamed
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 263
• Pages of publication: 1 - 10
• a: 14.84 ± 0.004 Å
• b: 10.214 ± 0.002 Å
• c: 8.986 ± 0.004 Å
• α: 90°
• β: 124.65 ± 0.03°
• γ: 90°
• Cell volume: 1120.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.56083 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No