Information card for entry 4326816

Structure parameters

• Formula: C56.629 H54.812 Br Cl0.629 Cu F6 N6 P
• Calculated formula: C56.629 H54.812 Br Cl0.629 Cu F6 N6 P
• Title of publication: New Heteroleptic Bis-Phenanthroline Copper(I) Complexes with Dipyridophenazine or Imidazole Fused Phenanthroline Ligands: Spectral, Electrochemical, and Quantum Chemical Studies
• Authors of publication: Yann Pellegrin; Martina Sandroni; Errol Blart; Aurélien Planchat; Michel Evain; Narayan C. Bera; Megumi Kayanuma; Michel Sliwa; Mateusz Rebarz; Olivier Poizat; Chantal Daniel; Fabrice Odobel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11309 - 11322
• a: 13.6027 ± 0.0006 Å
• b: 14.2161 ± 0.0014 Å
• c: 15.44 ± 0.0005 Å
• α: 73.945 ± 0.006°
• β: 83.606 ± 0.006°
• γ: 85.364 ± 0.007°
• Cell volume: 2847.5 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1625
• Residual factor for significantly intense reflections: 0.1124
• Weighted residual factors for significantly intense reflections: 0.2534
• Weighted residual factors for all reflections included in the refinement: 0.2675
• Goodness-of-fit parameter for significantly intense reflections: 3.7
• Goodness-of-fit parameter for all reflections included in the refinement: 3.25
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes