Information card for entry 7020682

Structure parameters

• Common name: 1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane- bis(trifluoromethanesulfonate)calcium(ii)
• Chemical name: 1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane- bis(trifluoromethanesulfonate)calcium(II)
• Formula: C14 H24 Ca F6 O10 S4
• Calculated formula: C14 H24 Ca F6 O10 S4
• Title of publication: s-Block chalcogenoether chemistry‒thio- and selenoether coordination with hard Group 2 ions.
• Authors of publication: Farina, Paolo; Levason, William; Reid, Gillian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 1
• Pages of publication: 89 - 99
• a: 14.855 ± 0.004 Å
• b: 9.4 ± 0.003 Å
• c: 17.855 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2493.2 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No