Information card for entry 7005826

Structure parameters

• Common name: 05006-complex 21
• Formula: C27 H30 Cu F6 N4 P
• Calculated formula: C27 H30 Cu F6 N4 P
• SMILES: [Cu]123[N](=Cc4ccccc4)CC[N]3(CC[N]1=Cc1ccccc1)CC[N]2=Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Modular syntheses of multidentate ligands with variable N-donors: applications to tri- and tetracopper(I) complexes.
• Authors of publication: Brown, Eric C.; Johnson, Brandon; Palavicini, Sara; Kucera, Benjamin E.; Casella, Luigi; Tolman, William B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 28
• Pages of publication: 3035 - 3042
• a: 10.4705 ± 0.0012 Å
• b: 11.0935 ± 0.0013 Å
• c: 12.0139 ± 0.0014 Å
• α: 83.962 ± 0.002°
• β: 84.97 ± 0.002°
• γ: 83.927 ± 0.002°
• Cell volume: 1375.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No