Information card for entry 7022767

Structure parameters

• Chemical name: bis(aqua)-1,4,10,13-tetraoxo-7,16-dithia-cyclooctadecane- (tetrafluoroborate-F,F')-lead(II) tetrafluoroborate
• Formula: C12 H28 B2 F8 O6 Pb S2
• Calculated formula: C12 H28 B2 F8 O6 Pb S2
• SMILES: [Pb]123456([S]7CC[O]2CC[O]3CC[S]1CC[O]4CC[O]5CC7)([OH2])([OH2])[F][B]([F]6)(F)F.[B](F)(F)(F)[F-]
• Title of publication: Lead(II) tetrafluoroborate and hexafluorophosphate complexes with crown ethers, mixed O/S- and O/Se-donor macrocycles and unusual [BF(4)](-) and [PF(6)](-) coordination.
• Authors of publication: Farina, Paolo; Latter, Thomas; Levason, William; Reid, Gillian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 13
• Pages of publication: 4714 - 4724
• a: 16.5374 ± 0.0015 Å
• b: 15.5893 ± 0.0015 Å
• c: 17.703 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4563.9 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.03
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No