Information card for entry 7717030

Structure parameters

• Chemical name: CaBetTfN_2
• Formula: C19 H33 Ca F12 N5 O14 S4
• Calculated formula: C19 H33 Ca F12 N5 O14 S4
• Title of publication: Synthesis and characterization of divalent metal-betaine-bistriflimide complexes: a property comparison with metal bistriflimide salts.
• Authors of publication: Guglielmero, Luca; Ciccone, Lidia; Mezzetta, Andrea; D'Andrea, Felicia; Guazzelli, Lorenzo; Pomelli, Christian Silvio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 40
• Pages of publication: 16693 - 16708
• a: 9.0322 ± 0.0002 Å
• b: 15.1177 ± 0.0004 Å
• c: 15.2478 ± 0.0004 Å
• α: 105.427 ± 0.001°
• β: 105.078 ± 0.001°
• γ: 101.074 ± 0.001°
• Cell volume: 1860 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No