Information card for entry 4322134

Structure parameters

• Formula: C56 H50 Cu F6 N4 O P
• Calculated formula: C56 H50 Cu F6 N4 O 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: 11.854 ± 0.003 Å
• b: 14.705 ± 0.003 Å
• c: 15.866 ± 0.004 Å
• α: 107.81°
• β: 106.72°
• γ: 97.56°
• Cell volume: 2447.6 ± 1 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1149
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections: 0.2348
• Weighted residual factors for significantly intense reflections: 0.1909
• Goodness-of-fit parameter for all reflections: 1.016
• Goodness-of-fit parameter for significantly intense reflections: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No