Information card for entry 4349658

Structure parameters

• Formula: C43 H22 Cu F26 N2 O P3
• Calculated formula: C43 H22 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]1c(C)ccc3c1c1[n]2c(C)ccc1cc3.[P](F)(F)(F)(F)(F)[F-].CC(=O)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: 11.679 ± 0.005 Å
• b: 12.12 ± 0.005 Å
• c: 16.489 ± 0.007 Å
• α: 93.297 ± 0.005°
• β: 95.906 ± 0.005°
• γ: 99.978 ± 0.006°
• Cell volume: 2279.7 ± 1.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 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 significantly intense reflections: 0.0433
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No