Information card for entry 7022771

Structure parameters

• Chemical name: 1,4,7,10,13,16-hexaoxacyclooctadecane-nitrato-lead(II) hexafluorophosphate
• Formula: C12 H24 F6 N O9 P Pb
• Calculated formula: C12 H24 F6 N O9 P Pb
• SMILES: [P](F)(F)(F)(F)(F)[F-].[Pb]123456(ON(=[O]1)=O)[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC[O]6CC1
• 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: 12.958 ± 0.005 Å
• b: 8.475 ± 0.003 Å
• c: 9.296 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1020.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No