Information card for entry 4349657

Structure parameters

• Formula: C41 H18 Cu F26 N2 O P3
• Calculated formula: C41 H18 Cu F26 N2 O P3
• SMILES: [Cu]12([P](c3c(F)c(F)c(F)c(F)c3F)(c3c(F)c(F)c(F)c(F)c3F)CC[P]1(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)[n]1c3c4[n]2cccc4ccc3ccc1.[P](F)(F)(F)(F)(F)[F-].O=C(C)C
• Title of publication: Blue and orange oxygen responsive emissions in the solid state based on copper(i) complexes bearing dodecafluorinated diphosphine and 1,10-phenanthroline derivative ligands
• Authors of publication: Washimi, Masaya; Nishikawa, Michihiro; Shimoda, Naohiro; Satokawa, Shigeo; Tsubomura, Taro
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 639
• a: 12.502 ± 0.004 Å
• b: 18.244 ± 0.005 Å
• c: 19.193 ± 0.006 Å
• α: 90 ± 0.001°
• β: 105.068 ± 0.001°
• γ: 90 ± 0.001°
• Cell volume: 4227 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No