Information card for entry 4322137

Structure parameters

• Formula: C58 H44 Cu F6 N4 P
• Calculated formula: C58 H44 Cu F6 N4 P
• Title of publication: Effects of Sterics and Electronic Delocalization on the Photophysical, Structural, and Electrochemical Properties of 2,9-Disubstituted 1,10-Phenanthroline Copper(I) Complexes
• Authors of publication: Mark T. Miller; Peter K. Gantzel; Timothy B. Karpishin
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 3414 - 3422
• a: 14.547 ± 0.006 Å
• b: 22.868 ± 0.006 Å
• c: 30.659 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10199 ± 6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.191
• Residual factor for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections: 0.2745
• Weighted residual factors for significantly intense reflections: 0.2044
• Goodness-of-fit parameter for all reflections: 1.026
• Goodness-of-fit parameter for significantly intense reflections: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No