Information card for entry 2224836

Structure parameters

• Chemical name: (6-Acetyl-1,3,7-trimethyllumazine- κ^3^<i>O</i>^4^,<i>N</i>^5^,<i>O</i>^6^)bis(triphenylphosphine- κ<i>P</i>)copper(I) hexafluorophosphate
• Formula: C47 H42 Cu F6 N4 O3 P3
• Calculated formula: C47 H42 Cu F6 N4 O3 P3
• SMILES: [Cu]12([O]=C3N(C(=O)N(C)c4c3[n]1c(C(=[O]2)C)c(C)n4)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: (6-Acetyl-1,3,7-trimethyllumazine-κ^3^<i>O</i>^4^,<i>N</i>^5^,<i>O</i>^6^)bis(triphenylphosphine-κ<i>P</i>)copper(I) hexafluoridophosphate
• Authors of publication: Hueso-Ureña, Francisco; Illán-Cabeza, Nuria A.; Jiménez-Pulido, Sonia B.; Moreno-Carretero, Miguel N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m145 - m146
• a: 10.2627 ± 0.0013 Å
• b: 26.89 ± 0.003 Å
• c: 15.5387 ± 0.0015 Å
• α: 90°
• β: 92.666 ± 0.01°
• γ: 90°
• Cell volume: 4283.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes