Information card for entry 7045042

Structure parameters

• Formula: C32 H32 Cu F6 N4 P
• Calculated formula: C32 H32 Cu F6 N4 P
• SMILES: c1ccc2ccc3c4c2[n]1[Cu]1([n]4c(cc3)C(C)(C)C)[n]2cccc3ccc4c(c23)[n]1c(cc4)C(C)(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Intriguing C-HCu interactions in bis-(phenanthroline)Cu(i) redox mediators for dye-sensitized solar cells.
• Authors of publication: Colombo, Alessia; Ossola, Rachele; Magni, Mirko; Roberto, Dominique; Jacquemin, Denis; Castellano, Carlo; Demartin, Francesco; Dragonetti, Claudia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 4
• Pages of publication: 1018 - 1022
• a: 8.7383 ± 0.0007 Å
• b: 12.8143 ± 0.001 Å
• c: 14.3893 ± 0.0012 Å
• α: 91.87 ± 0.01°
• β: 98.4 ± 0.01°
• γ: 105.65 ± 0.01°
• Cell volume: 1530.5 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No