Information card for entry 7023742

Structure parameters

• Chemical name: bis(1,4,7,10,13-pentaoxacyclopentadecane)tin(II) tris(tetrafluoroborate) oxonium hydrate
• Formula: C20 H45 B3 F12 O12 Sn
• Calculated formula: C20 H40 B3 F12 O12 Sn
• 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: 14.116 ± 0.002 Å
• b: 15.118 ± 0.002 Å
• c: 16.137 ± 0.006 Å
• α: 90°
• β: 90.793 ± 0.006°
• γ: 90°
• Cell volume: 3443.4 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1868
• Weighted residual factors for all reflections included in the refinement: 0.2033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No