Information card for entry 7026087

Structure parameters

• Formula: C86 H74 B2 Cu2 F8 N4 O4 P4
• Calculated formula: C86 H74 B2 Cu2 F8 N4 O4 P4
• SMILES: c12[n]3ccc[n]1[Cu]1([n]4c2[n]([Cu]23[P](c3ccccc3)(c3ccccc3)c3ccccc3Oc3ccccc3[P]2(c2ccccc2)c2ccccc2)ccc4)[P](c2ccccc2)(c2ccccc2)c2ccccc2Oc2ccccc2[P]1(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].C(=O)(C)C.[B](F)(F)(F)[F-].C(=O)(C)C
• 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: 11.3321 ± 0.0002 Å
• b: 13.2821 ± 0.0003 Å
• c: 14.2188 ± 0.0003 Å
• α: 108.665 ± 0.001°
• β: 105.605 ± 0.001°
• γ: 97.186 ± 0.001°
• Cell volume: 1899.81 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections: 0.1255
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0479
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No