Information card for entry 7022773

Structure parameters

• Chemical name: 1,4,10,13-tetraoxa-7,16-diselenacyclooctadecane-lead(II) bis-hexafluorophosphate
• Formula: C12 H24 F12 O4 P2 Pb Se2
• Calculated formula: C12 H24 F12 O4 P2 Pb Se2
• SMILES: C1C[O]2CC[O]3[Pb]2456[O](CC[O]4CC[Se]5CC3)CC[Se]16.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(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: 11.012 ± 0.004 Å
• b: 12.949 ± 0.005 Å
• c: 16.105 ± 0.006 Å
• α: 90°
• β: 95.402 ± 0.007°
• γ: 90°
• Cell volume: 2286.3 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No