Information card for entry 4323564

Structure parameters

• Chemical name: 2,9-dineopentyl-1,10-phenanthroline copper(I) pentaflourophosphate
• Formula: C44 H56 Cu F6 N4 P
• Calculated formula: C46 H62 Cu F12 N4 P
• Title of publication: A Twist on the Copper Center in the Crystal Structure of [Cu(dnpp)2]PF6 and the Charge-Transfer Excited State? (dnpp = 2,9-Dineopentyl-1,10-phenanthroline)
• Authors of publication: Michèle K. Eggleston; Phillip E. Fanwick; Alexander J. Pallenberg; David R. McMillin
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 4007 - 4010
• a: 10.2755 ± 0.001 Å
• b: 13.975 ± 0.0012 Å
• c: 16.4354 ± 0.0012 Å
• α: 79.376 ± 0.007°
• β: 86.989 ± 0.007°
• γ: 69.981 ± 0.007°
• Cell volume: 2179.4 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.081
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections: 0.159
• Weighted residual factors for significantly intense reflections: 0.131
• Goodness-of-fit parameter for all reflections: 1.04
• Goodness-of-fit parameter for significantly intense reflections: 1.007
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No