Information card for entry 7023741

Structure parameters

• Chemical name: aqua-1,4,7,10,13,16-hexaoxacyclooctadecane-tin(II) bis(tetrafluoroborate) hydrate
• Formula: C12 H30 B2 F8 O9 Sn
• Calculated formula: C12 H24 B2 F8 O9 Sn
• SMILES: [Sn]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)[OH2].O.O.[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: 21.368 ± 0.006 Å
• b: 17.042 ± 0.004 Å
• c: 12.503 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4553 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1527
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.1916
• Weighted residual factors for all reflections included in the refinement: 0.2267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No