Information card for entry 7026088

Structure parameters

• Formula: C24.5 H25 B Cl2 Cu F4 N4
• Calculated formula: C24.5 H25 B Cl2 Cu F4 N4
• SMILES: [Cu]12([n]3ccc(C)cc3c3[n]1ccc(C)c3)([n]1ccc(C)cc1c1[n]2ccc(C)c1)Cl.[B](F)(F)(F)[F-].C(Cl)Cl
• 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: 10.8528 ± 0.0003 Å
• b: 14.4072 ± 0.0004 Å
• c: 17.6085 ± 0.0005 Å
• α: 83.9868 ± 0.0016°
• β: 74.9744 ± 0.0014°
• γ: 73.385 ± 0.0014°
• Cell volume: 2546.69 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No