Information card for entry 7035008

Structure parameters

• Formula: C38 H36 Cu F6 N2 P3
• Calculated formula: C38 H36 Cu F6 N2 P3
• SMILES: [Cu]12([P](c3ccccc3)(CC[P]1(c1ccccc1)c1ccccc1)c1ccccc1)[n]1c(c3[n]2ccc(c3)C)cc(cc1)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Long-lived and oxygen-responsive photoluminescence in the solid state of copper(i) complexes bearing fluorinated diphosphine and bipyridine ligands.
• Authors of publication: Nishikawa, Michihiro; Wakita, Yuri; Nishi, Tatsuya; Miura, Takumi; Tsubomura, Taro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 19
• Pages of publication: 9170 - 9181
• a: 10.573 ± 0.003 Å
• b: 18.382 ± 0.005 Å
• c: 18.979 ± 0.005 Å
• α: 90°
• β: 99.449 ± 0.001°
• γ: 90°
• Cell volume: 3638.6 ± 1.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.0832
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No