Information card for entry 1566110

Structure parameters

• Formula: C6 H21 Cu F6 N5 Si
• Calculated formula: C6 H21 Cu F6 N5 Si
• SMILES: [Cu]123([NH](CC[NH2]2)CC[NH2]1)[NH2]CC[NH2]3.[Si](F)(F)(F)(F)([F-])[F-]
• Title of publication: A new copper(II) chelate complex with polyamines as fire retardant and epoxy hardener: Synthesis, crystal and electronic structure, and thermal behavior of (ethylenediamine-N,N′)-(diethylenetriamine-N,N′,N″)-copper(II) hexafluoridosilicate
• Authors of publication: Lavrenyuk, Helen; Mykhalichko, Borys; Dziuk, Błażej; Olijnyk, Volodymyr; Mykhalichko, Oleg
• Journal of publication: Arabian Journal of Chemistry
• Year of publication: 2020
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 3060 - 3069
• a: 8.9945 ± 0.0004 Å
• b: 9.6067 ± 0.0003 Å
• c: 15.7357 ± 0.0008 Å
• α: 90°
• β: 91.46 ± 0.004°
• γ: 90°
• Cell volume: 1359.24 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1651
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No