Information card for entry 4331901

Structure parameters

• Formula: C24 H36 Ca F24 N6 O16 S8
• Calculated formula: C24 H36 Ca F24 N6 O16 S8
• SMILES: [Ca]1234([O]=S(=O)(N=S(O1)(=O)C(F)(F)F)C(F)(F)F)(OS(=NS(=[O]2)(=O)C(F)(F)F)(C(F)(F)F)=O)([O]=S(=O)(N=S(O3)(=O)C(F)(F)F)C(F)(F)F)OS(=NS(=[O]4)(=O)C(F)(F)F)(C(F)(F)F)=O.[N+]1(CCCC1)(C)CCC.[N+]1(CCCC1)(C)CCC
• Title of publication: Homoleptic Alkaline Earth Metal Bis(trifluoromethanesulfonyl)imide Complex Compounds Obtained from an Ionic Liquid
• Authors of publication: Babai, Arash; Mudring, Anja-Verena
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3249 - 3255
• a: 11.2002 ± 0.0012 Å
• b: 22.447 ± 0.003 Å
• c: 22.39 ± 0.002 Å
• α: 90°
• β: 107.735 ± 0.008°
• γ: 90°
• Cell volume: 5361.6 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.1673
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 0.818
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No