Information card for entry 7020680

Structure parameters

• Common name: bis(acetonitrile)(1,4,7,10,13,16- hexaoxacyclooctadecane)calcium(ii) bis(hexachloro)antimonate(V)
• Chemical name: bis(acetonitrile)(1,4,7,10,13,16-hexaoxacyclooctadecane)calcium(II) bis(hexachloro)antimonate(V)
• Formula: C16 H30 Ca Cl12 N2 O6 Sb2
• Calculated formula: C16 H30 Ca Cl12 N2 O6 Sb2
• SMILES: [Sb](Cl)(Cl)([Cl-])(Cl)(Cl)Cl.[Sb](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-].[Ca]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)([N]#CC)[N]#CC
• 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: 26.561 ± 0.006 Å
• b: 13.365 ± 0.002 Å
• c: 23.205 ± 0.007 Å
• α: 90°
• β: 115.331 ± 0.01°
• γ: 90°
• Cell volume: 7445 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0794
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No