Information card for entry 7026086

Structure parameters

• Formula: C44 H34 B Cu F4 N4 O P2
• Calculated formula: C44 H34 B Cu F4 N4 O P2
• SMILES: [Cu]12([P](c3c(Oc4c([P]1(c1ccccc1)c1ccccc1)cccc4)cccc3)(c1ccccc1)c1ccccc1)[n]1c(nccc1)c1[n]2cccn1.[B](F)(F)(F)[F-]
• Title of publication: Substituted [Cu(I)(POP)(bipyridyl)] and related complexes: synthesis, structure, properties and applications to dye-sensitised solar cells.
• Authors of publication: Linfoot, Charlotte L.; Richardson, Patricia; Hewat, Tracy E.; Moudam, Omar; Forde, Michael M.; Collins, Anna; White, Fraser; Robertson, Neil
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 38
• Pages of publication: 8945 - 8956
• a: 9.5405 ± 0.0002 Å
• b: 19.858 ± 0.0004 Å
• c: 20.4442 ± 0.0004 Å
• α: 90°
• β: 95.481 ± 0.001°
• γ: 90°
• Cell volume: 3855.55 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• 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: 0.0667
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections: 0.1168
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0387
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No