Information card for entry 7023743

Structure parameters

• Chemical name: Ethane-1,2-diol(1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane)Sn(II) bis(tetrafluoroborate)
• Formula: C14 H30 B2 F8 O6 S2 Sn
• Calculated formula: C14 H30 B2 F8 O6 S2 Sn
• SMILES: [Sn]123456([S]7CC[O]2CC[O]3CC[S]1CC[O]4CC[O]5CC7)[OH]CC[OH]6.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Oxa-thia-, oxa-selena and crown ether macrocyclic complexes of tin(ii) tetrafluoroborate and hexafluorophosphate - synthesis, properties and structures.
• Authors of publication: Beattie, Christopher; Farina, Paolo; Levason, William; Reid, Gillian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 42
• Pages of publication: 15183 - 15190
• a: 8.4182 ± 0.0015 Å
• b: 15.129 ± 0.004 Å
• c: 19.264 ± 0.007 Å
• α: 90°
• β: 100.326 ± 0.007°
• γ: 90°
• Cell volume: 2413.7 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0551
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No