Information card for entry 7022766

Structure parameters

• Chemical name: bis(aqua(1,4,7,10,13,16-hexaoxacyclooctadecane)- (μ~2~-tetrafluoroborate-F,F')lead(II)) tetrafluoroborate
• Formula: C12 H26 B2 F8 O7 Pb
• Calculated formula: C12 H26 B2 F8 O7 Pb
• SMILES: [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[Pb]12345([OH2])[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
• 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: 12.818 ± 0.004 Å
• b: 10.661 ± 0.003 Å
• c: 15.298 ± 0.005 Å
• α: 90°
• β: 94.66 ± 0.02°
• γ: 90°
• Cell volume: 2083.6 ± 1.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0854
• 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